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| CAS No.: | 106-14-9 |
|---|---|
| Name: | 12-Hydroxystearicacid |
| Article Data: | 38 |
| Molecular Structure: | |
|
|
|
| Formula: | C18H36O3 |
| Molecular Weight: | 300.482 |
| 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-; |
| EINECS: | 203-366-1 |
| Density: | 0.944 g/cm3 |
| Melting Point: | 74-76 °C |
| Boiling Point: | 436.3 °C at 760 mmHg |
| Flash Point: | 231.8 °C |
| Solubility: | 0.3315(mg/L) at 25 °C in water |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 57.53000 |
| LogP: | 5.30330 |
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| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium hydroxide | |
| With potassium hydroxide | |
| With potassium hydroxide In methanol at 80℃; for 5h; Yield given; | |
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| 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 |
- 106-14-9
12-Hydroxystearic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol for 2h; Heating; |
- 76441-68-4
12-hydroxystearonitrile
- 106-14-9
12-Hydroxystearic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; water In ethanol for 40h; heating; | 8.94 g |
- 106-14-9
12-Hydroxystearic acid
| Conditions | Yield |
|---|---|
| With hydrogen; nickel In sodium hydroxide at 120℃; under 14710.2 Torr; | 6.6 g |
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Consensus Reports
Reported in EPA TSCA Inventory.
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%.
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%.
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