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Basic Information
CAS No.: 14113-05-4
Name: 10-Hydroxy-2-decenoic acid
Molecular Structure:
Molecular Structure of 14113-05-4 (10-Hydroxy-2-decenoic acid)
Formula: C10H18O3
Molecular Weight: 186.251
Synonyms: 2-Decenoic acid,10-hydroxy-, (2E)-;(E)-10-Hydroxydecenoic acid;10-Hydroxy-2E-decenoic acid;10-Hydroxy-trans-2-decenoic acid;Biosil;NSC 87516;trans-10-Hydroxy-2-decenoic acid;2-Decenoicacid, 10-hydroxy-, (E)- (8CI);Royal jelly acid (6CI);2-Decenoic acid,10-hydroxy-, trans- (6CI);(E)-10-Hydroxy-2-decenoic acid;
EINECS: 808-119-7
Density: 1.038 g/cm3
Melting Point: 64.0 to 68.0 °C
Boiling Point: 339.2 °C at 760 mmHg
Flash Point: 173.1 °C
Safety: 24/25
PSA: 57.53000
LogP: 1.96010
Synthetic route
1338457-45-6

(E)-ethyl 10-acetoxydec-2-enoate

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
With water; sodium hydroxide In ethanol at 60℃; for 4h;99.2%
68750-32-3

10-hydroxy-dec-2t-enoic acid methyl ester

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
With sodium hydroxide at 20℃; for 4h; Time;97%
57221-93-9

10-hydroxy 8-decenoic acid ethyl ester

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
With potassium hydroxide; water In ethanol for 8h;83%
With potassium hydroxide In ethanol for 1.5h; Heating;73%
With sodium hydroxide In ethanol for 5h; Heating;62%
With potassium hydroxide
With potassium hydroxide In ethanol; water at 30℃; for 1h; Yield given;
119991-72-9

10-hydroxy-3-decenoic acid

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
With potassium hydroxide for 3h; Heating;65%
22054-14-4

8-hydroxyoctanal

141-82-2

malonic acid

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
With pyridine 1.) ambient temperature, 72 h, 2.) heating on water-bath, 4 h;61%
With piperidine 1) pyridine, 20 deg C, 16 h, 2) 110 - 115 deg C, 1 h;49%
With pyridine
141-82-2

malonic acid

40264-95-7

acetic acid 8-oxo-octyl ester

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
Stage #1: malonic acid; acetic acid 8-oxo-octyl ester With piperidine; pyridine at 22 - 120℃; for 24.5h; Doebner reaction;
Stage #2: With potassium carbonate In methanol at 20℃; for 24h;
60%
141-82-2

malonic acid

817-45-8

8,8-diethoxy-octan-1-ol

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
(i) aq. H2SO4, EtOH, (ii) /BRN= 1751370/, Py, piperidine; Multistep reaction;
(i) aq. H2SO4, EtOH, (ii) /BRN= 1751370/; Multistep reaction;
141-82-2

malonic acid

Nonane-1,2,9-triol

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
(i) aq. KIO4, H2SO4, EtOH, (ii) /BRN= 1751370/, Py; Multistep reaction;
92038-37-4

10-acetoxydecanoic acid

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
(i) SOCl2, (ii) Br2, (iii) NaI, butanone, (iv) KOH, MeOH; Multistep reaction;
Multi-step reaction with 2 steps
1: (i) SOCl2, (ii) Br2, (iii) /BRN= 1098229/, Py
2: (i) NaI, acetone, (ii) KOH, MeOH
View Scheme
31534-98-2

trans-10-Iod-2-decensaeure

14113-05-4

(E)-10-hydroxy-dec-2-enoic acid

Conditions
ConditionsYield
(i) KOAc, AcOH, Py, (ii) KOH; Multistep reaction;
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    14113-05-4

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Specification

The (E)-10-Hydroxy-2-decenoic acid, with the CAS registry number 14113-05-4,is also known as 10-Hydroxy-2-decenoic acid. It belongs to the product categories of intermediate.This chemical's molecular formula is C10H18O3 and molecular weight is 186.25. What's more,Its systematic name is 2-Decenoic acid,10-hydroxy-,(E)-.It is only used for laboratory content determination, pharmacological experiments, etc., shall not be used for medical diagnosis.

Physical properties about (E)-10-Hydroxy-2-decenoic acid are:
(1) ACD/LogP:  1.808; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  1.02; (4)ACD/LogD (pH 7.4):  -0.78; (5)ACD/BCF (pH 5.5):  2.25; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  36.97; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  3; (10)#H bond donors:  2; (11)#Freely Rotating Bonds:  9; (12)Index of Refraction:  1.486; (13)Molar Refractivity:  51.535 cm3; (14)Molar Volume:  179.349 cm3; (15)Surface Tension:  41.6920013427734 dyne/cm; (16)Density:  1.038 g/cm3; (17)Flash Point:  173.129 °C; (18)Enthalpy of Vaporization:  67.489 kJ/mol; (19)Boiling Point:  339.175 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)/C=C/CCCCCCCO;
(2)Std. InChI:InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+;
(3)Std. InChIKey:QHBZHVUGQROELI-SOFGYWHQSA-N.

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