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CAS No.: | 32602-70-3 |
---|---|
Name: | (+/-)-3-HYDROXYPENTADECANOIC ACID |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C15H30O3 |
Molecular Weight: | 258.401 |
Synonyms: | 3-Hydroxypentadecanoicacid;b-Hydroxypentadecanoic acid; |
Density: | 0.96 g/cm3 |
Boiling Point: | 391.1 °C at 760mmHg |
Flash Point: | 204.5 °C |
PSA: | 57.53000 |
LogP: | 4.13300 |
methyl 3-oxopentadecanoate
3-hydroxypentadecanoic acid
Conditions | Yield |
---|---|
With methanol; nickel at 100℃; under 73550.8 Torr; Hydrogenation.und Erwaermen des Reaktionsprodukts mit aethanol.Kalilauge; |
3-hydroxy-pentadecanoic acid ethyl ester
3-hydroxypentadecanoic acid
Conditions | Yield |
---|---|
With potassium hydroxide |
1-dodecene
carbon dioxide
vinylmagnesium chloride
3-hydroxypentadecanoic acid
Conditions | Yield |
---|---|
Yield given. Multistep reaction; |
n-tridecanoyl chloride
3-hydroxypentadecanoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: benzene / Erwaermen des nach dem Ansaeuern erhaltenen Reaktionsprodukts mit Essigsaeure und wenig Schwefelsaeure 2: water containing diethyl ether; amalgamated aluminium 3: aq.-ethanolic KOH-solution View Scheme |
ethyl 3-oxopentadecanoate
3-hydroxypentadecanoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: water containing diethyl ether; amalgamated aluminium 2: aq.-ethanolic KOH-solution View Scheme |
A
3-hydroxytetradecanoic acid
B
3-hydroxydodecanoic acid
C
3-hydroxytridecanoic acid
D
3-hydroxypentadecanoic acid
E
β-hydroxypalmitic acid
F
3-hydroxy-heptadecanoic acid
G
3-hydroxyoctadecanoic acid
H
3-hydroxy-nonadecanoic acid
Conditions | Yield |
---|---|
Stage #1: lipopolysaccharide from Sinorhizobium fredii HH103, rkpA With hydrogenchloride; water at 100℃; for 4h; Stage #2: With water; sodium hydroxide at 100℃; for 0.5h; |
A
3-hydroxytetradecanoic acid
B
3-hydroxydodecanoic acid
C
3-hydroxytridecanoic acid
D
3-hydroxypentadecanoic acid
E
β-hydroxypalmitic acid
F
3-hydroxy-heptadecanoic acid
G
3-hydroxyoctadecanoic acid
H
3-hydroxy-nonadecanoic acid
Conditions | Yield |
---|---|
Stage #1: lipopolysaccharide from Sinorhizobium fredii HH103, rkpM With hydrogenchloride; water at 100℃; for 4h; Stage #2: With water; sodium hydroxide at 100℃; for 0.5h; |
3-hydroxypentadecanoic acid
(R)-3-hydroxypentadecanoic acid
Conditions | Yield |
---|---|
3-hydroxypentadecanoic acid
(S)-(+)-3-Hydroxytetradecancarbonsaeure
Conditions | Yield |
---|---|
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This chemical is called Pentadecanoic acid,3-hydroxy-, and its systematic name is 3-hydroxypentadecanoic acid. With the molecular formula of C15H30O3, its molecular weight is 258.4. The CAS registry number of this chemical is 32602-70-3. In addition, keep the chemical in a cool and dry place. Ensure the workshop ventilated.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 127.7; (6)ACD/BCF (pH 7.4): 2.09; (7)ACD/KOC (pH 5.5): 497.17; (8)ACD/KOC (pH 7.4): 8.15; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 74.59 cm3; (15)Molar Volume: 268.6 cm3; (16)Polarizability: 29.57×10-24 cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 0.961 g/cm3; (19)Flash Point: 204.5 °C; (20)Enthalpy of Vaporization: 74.08 kJ/mol; (21)Boiling Point: 391.1 °C at 760 mmHg ; (22)Vapour Pressure: 9.8E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC(O)CCCCCCCCCCCC
2.InChI: InChI=1/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
3.InChIKey: ATMSEJBABXCWDW-UHFFFAOYAP
4.Std. InChI: InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
5.Std. InChIKey: ATMSEJBABXCWDW-UHFFFAOYSA-N