10-Methylundecanoic acid

HCID 75942
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Basic information

CAS
2724-56-3
Standard SMILES
CC(C)CCCCCCCCC(=O)O
InChIKey
QJRRBVNPIKYRQJ-UHFFFAOYSA-N
Molecular formula
C12H24O2
Average molar mass
200.32 g/mol
Monoisotopic mass
200.17763001

Overview

10-methylundecanoic acid is a methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10. It is a branched-chain saturated fatty acid, a medium-chain fatty acid and a methyl-branched fatty acid. It is functionally related to an undecanoic acid.

Names & identifiers

Preferred name
10-Methylundecanoic acid
IUPAC
10-methylundecanoic acid
English name
10-METHYLUNDECANOIC ACID
Molecular formula
C12H24O2
Molecular weight
200.32

Names & synonyms

10-Methylundecanoic acid2724-56-310-methylundecylic acidCHEBI:84889DTXSID70181693RefChem:437050DTXCID10104184636-654-4isolauric acidUndecanoic acid, 10-methyl-Isoundecanoic acid10-methyl-undecanoic acid
Show more names
JARIC I-12
Isododecanoic acidUndecanoic acid,10-methyl-10-METHYLUNDECANOICACID10-methylundecanoicaciAI3-0599910-methyl-hendecanoic acidSCHEMBL839386SCHEMBL10800219

Database identifiers

CAS
2724-56-3
PubChem CID
75942
DTXSID
DTXSID70181693
ChEBI
CHEBI:84889
EC Number
636-654-4
Nikkaji
J330.690I

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
14

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Physicochemical properties

Melting point
38 · 38-39 °C
Boiling point
293.36 °C · 293.36°C (estimate)
Density
0.891 · 0.8910 (rough estimate)
refractive index
1.4251 · 1.4251 (estimate)
storage temp.
20 °C · −20°C
form
Liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Applications

Uses10-Methylundecanoic acid is an ester product.

Suppliers18 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]

Additional notes

DefinitionChEBI: A methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10.

Related reactions

2 records
New reaction record

Compound notes

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