Methyl-3-hydroxydodec-5-enoic acid

HCID 155752CAS 72864-23-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCC(O)CC(=O)OC
InChIKey
OZXCINYANGIBDB-UHFFFAOYSA-N
Molecular formula
C13H26O3
Average molar mass
230.34 g/mol
Monoisotopic mass
230.18819469

Names & identifiers

Preferred name
Methyl-3-hydroxydodec-5-enoic acid
IUPAC
methyl 3-hydroxydodecanoate
English name
Methyl 3-hydroxydodecanoate
Molecular formula
C13H26O3
Molecular weight
230.34

Names & synonyms

72864-23-4Methyl-3-hydroxydodec-5-enoic acidDodecanoic acid, 3-hydroxy-, methyl esterRefChem:925754Methyl 3-hydroxydodecanoate85464-97-73-hydroxydodecanoic acid methyl ester3-hydroxy Lauric Acid methyl esterMFCD00133280Dodecanoic acid, 3-hydroxy-, methyl ester, (A+/-)-Dodecanoic acid, 3-hydroxy-, methyl ester, (? inverted exclamation markA)-METHYL3-HYDROXYDODECANOATE
Show more names
3-HYDROXY C12:0 METHYL ESTER3-Hydroxylauric acid methyl esterDodecanoic acid, 3-hydroxy, methyl ester
Methyl-3-hydroxydodec-5-enoateorb2282996SCHEMBL1427064DTXSID509936503-hydroxydodecanoic acid methylesterAKOS0376557943-Hydroxydodecanoic acid, methyl esterAT49428

Database identifiers

CAS
72864-23-4
PubChem CID
155752
DTXSID
DTXSID50993650
Nikkaji
J262.074J

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
11
Heavy atoms
16

Physicochemical properties

Melting point
27 °C · 27 °C
Boiling point
327.7 · 327.7±15.0 °C(Predicted)
Density
0.942 · 0.942±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka
13.92 · 13.92±0.20(Predicted)

Safety & regulation

Safety data

Signal word
Danger
Symbol(GHS)
GHS02,GHS07
Hazard statements
H225-H319
Precautionary statements
P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501

Chemistry & industry

Applications

Description3-hydroxy Lauric acid methyl ester is a hydroxylated fatty acid methyl ester that has been found in methyl-branched poly(3-hydroxyalkanoate) (PHA) polymers produced by P. putida and D. tsuruhatensis. [Matreya, LLC. Catalog No. 1732]

Uses3-Hydroxydodecanoic Acid Methyl Ester is a 3-hydroxyl fatty acid Me ester as methionine regulator.

Upstream & downstream products

Downstream products

Suppliers18 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海艾梯西生物科技有限公司18721763493
吉林中科研伸科技有限公司18143011203 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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