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12-Hydroxystearicacid

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Name

12-Hydroxystearicacid

EINECS 203-366-1
CAS No. 106-14-9 Density 0.944 g/cm3
PSA 57.53000 LogP 5.30330
Solubility 0.3315(mg/L) at 25 °C in water Melting Point 74-76 °C
Formula C18H36O3 Boiling Point 436.3 °C at 760 mmHg
Molecular Weight 300.54 Flash Point 231.8 °C
Transport Information Appearance white powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 106-14-9 (12-Hydroxystearicacid) Hazard Symbols IrritantXi
Synonyms

Stearicacid, l-hydroxy- (4CI);12-HSA;12-Hydroxystearic acid;ADK Stab LS 12;BarolubFTO;Cerit Fac 3;Ceroxin GL;DL-12-Hydroxyoctadecanoic acid;DL-12-Hydroxystearic acid;Hydroxystearin R;KOW;Loxiol G 21;NSC 2385;Pelemol HSA;Solsperse2000;Octadecanoic acid,12-hydroxy-;

 

12-Hydroxystearicacid Synthetic route

925-44-0

12-oxooctadecanoic acid

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Stage #1: 12-oxooctadecanoic acid With sodium tetrahydroborate In ethanol at 20℃; for 1.5h;
Stage #2: With acetic acid In ethanol
96%
With sodium tetrahydroborate; ethanol at 20℃; for 1.5h;96%
With sodium hydroxide; hydrogen; nickel In ethanol at 160℃; under 750.06 Torr; for 6h;94%
(reduction);
74815-67-1

ethyl 12-hydroxystearate

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With sodium hydroxide In ethanol for 6h; Heating;96%
6114-39-2, 7309-59-3, 82008-61-5, 141-23-1

methyl 12-hydroxyoctadecanoate

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With potassium hydroxide
With potassium hydroxide
With potassium hydroxide In methanol at 80℃; for 5h; Yield given;
With potassium hydroxide
141-22-0

Ricinoleic acid

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With Pt(2+)*HO(1-) Hydrogenation.in alkoh.Loesung;
Reaktion des Glycerids bei der katalytischen Hydrierung.Hydrogenation;
Multi-step reaction with 2 steps
2: hydrogen bromide / Reduktion des Additionsprodukts mit Zink oder Zinn und Salzsaeure und nachherige Behandlung mit Kalilauge
View Scheme
Conditions
ConditionsYield
With acetyl chloride man hydriert das Acetat des Ricinolsaeure-methylesters bei Gegenwart von Platinmohr in Eisessig und kocht das Reaktionsprodukt mit alkoh. Kalilauge;
138844-95-8

12-acetoxy-octadec-9-enoic acid

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With hydrogen bromide Reduktion des Additionsprodukts mit Zink oder Zinn und Salzsaeure und nachherige Behandlung mit Kalilauge;
41989-07-5

methyl ricinoleate

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With diethyl ether; hydrogen; platinum man verseift den entstehenden Methylester mit alkoholischer Kalilauge;
Multi-step reaction with 2 steps
1: H2 / Raney-Ni
2: aq. KOH
View Scheme
673-02-9

12-hydroxyoctadecanoic acid lactone

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With potassium hydroxide In ethanol for 2h; Heating;
76441-68-4

12-hydroxystearonitrile

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With potassium hydroxide; water In ethanol for 40h; heating;8.94 g

(4E,8E)-12-Hydroxy-octadeca-4,8-dienoic acid

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With hydrogen; nickel In sodium hydroxide at 120℃; under 14710.2 Torr;6.6 g
λ.μ-dioxy-stearic acid

λ.μ-dioxy-stearic acid

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With acetic acid-sulphuric acid nachfolgende Hydrierung;
3927-60-4

undecanedioic acid monomethyl ester

(+-)-3-acetoxy-nonanoic acid

(+-)-3-acetoxy-nonanoic acid

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Electrolysis.anschliessendes Hydrolyse mit Hilfe von Alkalilauge;
138844-95-8

12-acetoxy-octadec-9-enoic acid

10035-10-6, 12258-64-9

hydrogen bromide

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Reduktion und nachfolgende Verseifung; acetate of/the/ ricinolic acid;
141-22-0

Ricinoleic acid

7803-57-8

hydrazine hydrate

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
an der Luft;
castor oil

castor oil

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
With potassium hydroxide
141-22-0

Ricinoleic acid

hydrogen

hydrogen

colloid/al platinum

colloid/al platinum

106-14-9

12-Hydroxystearic acid

56-23-5

tetrachloromethane

141-22-0

Ricinoleic acid

NaH2PO2

NaH2PO2

Raney nickel

Raney nickel

106-14-9

12-Hydroxystearic acid

35042-91-2

11-cyanoundecanoyl chloride

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: CH2Cl2 / 4 h / 20 °C
2: aq. sodium hydroxide / ethanol / 20 h / Heating
3: 94 percent / H2, NaOH / Raney nickel / aq. ethanol / 6 h / 160 °C / 750.06 Torr
View Scheme
Multi-step reaction with 3 steps
1: 89 percent / CH2Cl2 / 1) -30 gradC, 1 h; 2) 20 gradC, 12 h
2: aq. sodium hydroxide / ethanol / 20 h / Heating
3: 94 percent / H2, NaOH / Raney nickel / aq. ethanol / 6 h / 160 °C / 750.06 Torr
View Scheme
5810-18-4

11-cyanoundecanoic acid

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 95 percent / SOCl2 / benzene / 4 h / 60 °C
2: CH2Cl2 / 4 h / 20 °C
3: aq. sodium hydroxide / ethanol / 20 h / Heating
4: 94 percent / H2, NaOH / Raney nickel / aq. ethanol / 6 h / 160 °C / 750.06 Torr
View Scheme
Multi-step reaction with 4 steps
1: 95 percent / SOCl2 / benzene / 4 h / 60 °C
2: 89 percent / CH2Cl2 / 1) -30 gradC, 1 h; 2) 20 gradC, 12 h
3: aq. sodium hydroxide / ethanol / 20 h / Heating
4: 94 percent / H2, NaOH / Raney nickel / aq. ethanol / 6 h / 160 °C / 750.06 Torr
View Scheme
36840-82-1

12-oxo-octadecanenitrile

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aq. sodium hydroxide / ethanol / 20 h / Heating
2: 94 percent / H2, NaOH / Raney nickel / aq. ethanol / 6 h / 160 °C / 750.06 Torr
View Scheme
66003-63-2

1,12-dodecadicarboxylic acid monoethyl ester

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 93 percent / SOCl2 / 4 h / Heating
2: 1) Mg / 1) THF, -78 gradC, 1.5 h; 2) raised to 20 gradC
3: 91 percent / H2 / Raney nickel / ethanol / 15 h / 150 °C
4: 96 percent / NaOH / aq. ethanol / 6 h / Heating
View Scheme
14812-19-2

monoethyl ester of dodecanedioic acid chloride

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1) Mg / 1) THF, -78 gradC, 1.5 h; 2) raised to 20 gradC
2: 91 percent / H2 / Raney nickel / ethanol / 15 h / 150 °C
3: 96 percent / NaOH / aq. ethanol / 6 h / Heating
View Scheme
88472-61-1

ethyl 12-oxo-octadecanoate

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 91 percent / H2 / Raney nickel / ethanol / 15 h / 150 °C
2: 96 percent / NaOH / aq. ethanol / 6 h / Heating
View Scheme
13050-14-1

12-oxododecanenitrile

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 10 g / diethyl ether / 2 h / 20 °C
2: 8.94 g / KOH, H2O / ethanol / 40 h / heating
View Scheme
1724-39-6

cyclododecanol

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 93 percent / Cu/Cr/Zn / 5 h / 250 - 280 °C
2: 71 percent / tert-butyl peroxide / 3 h / 150 - 160 °C
3: 68 percent / peracetic acid, permaleic acid / CH2Cl2 / 24 h / Heating
4: KOH / ethanol / 2 h / Heating
View Scheme
123117-34-0

2-hexylcyclododecanone

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 68 percent / peracetic acid, permaleic acid / CH2Cl2 / 24 h / Heating
2: KOH / ethanol / 2 h / Heating
View Scheme
44767-62-6

n-hexylmagnesium chloride

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 10 g / diethyl ether / 2 h / 20 °C
2: 8.94 g / KOH, H2O / ethanol / 40 h / heating
View Scheme
Multi-step reaction with 3 steps
1: diethyl ether / 2 h / 20 °C
2: 8 g / KOH, H2O / ethanol / 40 h / heating
3: 6.6 g / H2 / Raney nickel / aq. NaOH / 120 °C / 14710.2 Torr
View Scheme
76441-69-5

12-oxo-4,8-dodecadienenitrile

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: diethyl ether / 2 h / 20 °C
2: 8 g / KOH, H2O / ethanol / 40 h / heating
3: 6.6 g / H2 / Raney nickel / aq. NaOH / 120 °C / 14710.2 Torr
View Scheme
10499-79-3, 29766-94-7

2-methoxycyclododecadienone oxime

106-14-9

12-Hydroxystearic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: PCl5 / diethyl ether / 2 h / 20 °C
2: diethyl ether / 2 h / 20 °C
3: 8 g / KOH, H2O / ethanol / 40 h / heating
4: 6.6 g / H2 / Raney nickel / aq. NaOH / 120 °C / 14710.2 Torr
View Scheme
106-14-9

12-Hydroxystearic acid

73640-30-9

12-iodostearic acid

Conditions
ConditionsYield
With phosphorus; hydrogen iodide for 18h; Heating;100%
67-56-1

methanol

106-14-9

12-Hydroxystearic acid

6114-39-2, 7309-59-3, 82008-61-5, 141-23-1

methyl 12-hydroxyoctadecanoate

Conditions
ConditionsYield
With hydroxy-substituted sulfonic acid-functionalized silica (HO-SAS) In tetrahydrofuran at 110℃; Fischer-Speier Esterification; Flow reactor;99%
With hydrogenchloride at 40 - 50℃; for 3h;27.9%
With hydrogenchloride Heating; Yield given;
With boron trifluoride Esterification; Heating;
With sulfuric acid for 16h; Heating;
106-14-9

12-Hydroxystearic acid

79-03-8

propionyl chloride

775351-03-6

12-propionyloxy-stearic acid

Conditions
ConditionsYield
With pyridine In tert-butyl methyl ether at 50℃; for 19h;97%
64-17-5

ethanol

106-14-9

12-Hydroxystearic acid

74815-67-1

ethyl 12-hydroxystearate

Conditions
ConditionsYield
With sulfuric acid at 78℃; for 20h; Heating / reflux;96%
With hydrogenchloride
106-14-9

12-Hydroxystearic acid

71-36-3

butan-1-ol

5417-30-1

12-hydroxy-octadecanoic acid butyl ester

Conditions
ConditionsYield
iodine for 15h; Heating;95%
106-14-9

12-Hydroxystearic acid

lithium 12-hydroxy stearate

Conditions
ConditionsYield
Product distribution / selectivity;95%
With lithium hydroxide In water Product distribution / selectivity;91%
With lithium hydroxide In water at 90℃; for 1.75h; Purification / work up;
106-14-9

12-Hydroxystearic acid

108-98-5

thiophenol

61049-79-4

S-phenyl 12-hydroxythiostearate

Conditions
ConditionsYield
With triethylamine; 3-diphenyloxyphosphinyl-2-oxazolidinone In acetonitrile for 1h; Ambient temperature;93%
With pyridine; O-phenyl phosphorodichloridate In 1,2-dimethoxyethane for 16h; Ambient temperature;78%
(i) 2-fluoro-1-methyl-pyridinium toluene-4-sulfonate, Et3N, (ii) /BRN= 506523/, Et3N; Multistep reaction;
106-14-9

12-Hydroxystearic acid

A

20602-43-1

3,16-dihexyl-2,15-dioxacyclohexacosane-1,14-dione

B

673-02-9

12-hydroxyoctadecanoic acid lactone

Conditions
ConditionsYield
With chloro-trimethyl-silane; TiCl2(OTf)2; 4-(trifluoromethyl)benzoic anhydride In dichloromethane Heating;A 6%
B 91%
With chloro-trimethyl-silane; TiCl2(OTf)2; 4-(trifluoromethyl)benzoic anhydride In dichloromethane at 50℃; for 5h;A 3%
B 91%
With dmap; 2-methyl-6-nitrobenzoic anhydride In dichloromethane at 20℃; for 15h;A 1%
B 86%
106-14-9

12-Hydroxystearic acid

A

673-02-9

12-hydroxyoctadecanoic acid lactone

B

13,26-Diheptyl-1,14-dioxa-cyclohexacosane-2,15-dione

Conditions
ConditionsYield
distannoxane (X=Cl) In decane for 24h; Heating;A 90%
B 19%
106-14-9

12-Hydroxystearic acid

116971-44-9

12-bromostearic acid

Conditions
ConditionsYield
With hydrogen bromide for 18h; Heating;90%
With 1H-imidazole; carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 20℃; for 21h;71%
4418-61-5

5-aminotetrazole

106-14-9

12-Hydroxystearic acid

C19H37N5O2

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 0 - 20℃;90%
106-14-9

12-Hydroxystearic acid

78605-38-6

Diphenyl 2-oxo-3-oxazolinylphosphonate

78605-41-1

3-(12-hydroxystearoyl)-2-oxazolone

Conditions
ConditionsYield
With triethylamine In acetonitrile Ambient temperature;88%
With triethylamine In acetonitrile88%
106-14-9

12-Hydroxystearic acid

673-02-9

12-hydroxyoctadecanoic acid lactone

Conditions
ConditionsYield
With dmap; 2-methyl-6-nitrobenzoic anhydride In dichloromethane at 20℃; for 1h;86%
Stage #1: 12-Hydroxystearic acid With 2,6-dichloro-4-(perfluorohexyl)benzoyl chloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 25℃; for 1h; Yamaguchi Lactonization;
Stage #2: With dmap In tetrahydrofuran; toluene for 3h; Reagent/catalyst; Yamaguchi Lactonization; Reflux;
86%
With 1,3,5-trichloro-2,4,6-triazine; triethylamine In acetone for 6h; Ambient temperature;70%
106-14-9

12-Hydroxystearic acid

100-46-9

benzylamine

89332-54-7

N-benzyl-12-hydroxyoctadecaneamide

Conditions
ConditionsYield
With triethylamine; 3-diphenyloxyphosphinyl-2-oxazolidinone In N,N-dimethyl-formamide for 0.5h; Ambient temperature;86%
73732-51-1

5-(3-aminophenyl)-1H-tetrazole

106-14-9

12-Hydroxystearic acid

C25H41N5O2

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 0 - 20℃;85%
106-14-9

12-Hydroxystearic acid

109-55-7

1-amino-3-(dimethylamino)propane

75656-34-7

γ-12-Hydroxystearamidopropyl-dimethylamine

Conditions
ConditionsYield
at 160℃; for 12h;85%
108-05-4

vinyl acetate

106-14-9

12-Hydroxystearic acid

152752-18-6

12-hydroxyoctadecanoic acid vinyl ester

Conditions
ConditionsYield
With potassium hydroxide; palladium diacetate for 24h; Ambient temperature;83%
106-14-9

12-Hydroxystearic acid

20602-43-1

3,16-dihexyl-2,15-dioxacyclohexacosane-1,14-dione

Conditions
ConditionsYield
With hydrogenchloride for 18h; Heating;83%
106-14-9

12-Hydroxystearic acid

67-68-5

dimethyl sulfoxide

12-hydroxy-octadecanoic acid methylsulfanylmethyl ester

Conditions
ConditionsYield
With oxalyl dichloride; triethylamine In dichloromethane at -60 - 20℃; for 0.5h; Swern oxidation;80%
106-14-9

12-Hydroxystearic acid

85721-25-1

2-(oct-7-en-1-yl)oxirane

1106675-69-7

C28H54O4

Conditions
ConditionsYield
With oxidized hydroxyethyl cellulose aminated with dodecylamine In glycerol at 90℃;80%
106-14-9

12-Hydroxystearic acid

56-81-5

glycerol

2,3-dihydroxypropyl-12-hydroxyoctadecanoate

Conditions
ConditionsYield
With mesoporous silica HMS2-SO3H; cetyltritylammonium bromide for 6h; Product distribution; Further Variations:; Reagents; reaction times;77%
With phenylboronic acid In hexane Enzymatic reaction;
106-14-9

12-Hydroxystearic acid

2,4-(3,4-dimethylbenzylidene)-D-glucose hydrazide

C33H56N2O8

Conditions
ConditionsYield
Stage #1: 12-Hydroxystearic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.5h;
Stage #2: 2,4-(3,4-dimethylbenzylidene)-D-glucose hydrazide In N,N-dimethyl-formamide at 20℃; for 5h;
74.8%
106-14-9

12-Hydroxystearic acid

14338-32-0

2-chloro-1-methyl-pyridinium iodide

673-02-9

12-hydroxyoctadecanoic acid lactone

Conditions
ConditionsYield
With triethylamine In acetonitrile66%
106-14-9

12-Hydroxystearic acid

2726-73-0

1,12-octadecanediol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether at -10 - 20℃; for 20h; Inert atmosphere;66%
With lithium aluminium tetrahydride Inert atmosphere;
106-14-9

12-Hydroxystearic acid

277749-26-5

docosanoic acid 2-hexadecanoyloxy-3-hydroxy-propyl ester

docosanoic acid 2-hexadecanoyloxy-3-(12-hydroxy-octadecanoyloxy)-propyl ester

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 1h; Esterification;64%
106-14-9

12-Hydroxystearic acid

1111-72-4

carbon dioxide

C17(13)CH36O3

Conditions
ConditionsYield
With manganese; (1,2-dimethoxyethane)dichloronickel(II); 6,6'-dimethyl-4,4'-diphenyl-2,2'-bipyridine In methanol; N,N-dimethyl-formamide at 0℃; under 760.051 Torr;59%
106-14-9

12-Hydroxystearic acid

75-80-9

2,2,2-tribromoethanol

2,2,2-tribromoethyl 12-hydroxystearate

Conditions
ConditionsYield
With dmap; dacarbazine; 4-N,N-dimethylaminopyridine trifluoroacetate In dichloromethane at 20℃; for 4h; Esterification;52%
106-14-9

12-Hydroxystearic acid

74179-14-9

N1,N3-bis(hydroxymethyl)-5-fluorouracil

12-Hydroxy-octadecanoic acid 5-fluoro-3-hydroxymethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl ester

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide; dmap In N,N-dimethyl-formamide; acetonitrile room temp. -- 40 deg C, 24 h;49%

12-Hydroxystearicacid Consensus Reports

Reported in EPA TSCA Inventory.

12-Hydroxystearicacid Specification

The IUPAC name of this chemical is 12-Hydroxystearicacid. With the CAS registry number 106-14-9 and EINECS registry number 203-366-1, it is also named as octadecanoic acid,12-hydroxy-. In addition, the molecular formula is C18H36O3. It is a kind of white powder and can be used in textile lubricants, paint and metal processing oil.

Physical properties about this chemical are: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.23; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 3580.7; (6)ACD/BCF (pH 7.4): 57.44; (7)ACD/KOC (pH 5.5): 7231.41; (8)ACD/KOC (pH 7.4): 116.01; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 88.49 cm3; (15)Molar Volume: 318.1 cm3; (16)Polarizability: 35.08 ×10-24cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 0.944 g/cm3; (19)Flash Point: 231.8 °C; (20)Enthalpy of Vaporization: 79.96 kJ/mol; (21)Boiling Point: 436.3 °C at 760 mmHg; (22)Vapour Pressure: 1.92E-09 mmHg at 25°C.

Preparation of 12-Hydroxystearicacid: it can be prepared by 12-hydroxy-octadecanoic acid ethyl ester. This reaction will need reagent NaOH and solvent aq. ethanol. The reaction time is 6 hours by heating. The yield is about 96%.

12-Hydroxystearicacid can be prepared by 12-hydroxy-octadecanoic acid ethyl ester

Uses of 12-Hydroxystearicacid: it can react with benzenethiol to get 12-Hydroxy-octadecanoyl-phenyl-thioether. This reaction will need reagents diphenyl 2-oxo-3-oxazolinylphosphonate and triethylamine, and solvent acetonitrile. The reaction time is 1 hour with ambient temperature. The yield is about 93%.

12-Hydroxystearicacid can react with benzenethiol to get 12-Hydroxy-octadecanoyl-phenyl-thioether

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCC(O)CCCCCC
(2)InChI: InChI=1/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
(3)InChIKey: ULQISTXYYBZJSJ-UHFFFAOYAY

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