Octanoic acid, 4-methyl-

HCID 62089CAS 54947-74-9

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Basic information

Standard SMILES
CCCCC(C)CCC(=O)O
InChIKey
LEGGANXCVQPIAI-UHFFFAOYSA-N
Molecular formula
C9H18O2
Average molar mass
158.241 g/mol
Monoisotopic mass
158.13067982

Names & identifiers

Preferred name
Octanoic acid, 4-methyl-
IUPAC
4-Methyloctanoic acid
English name
4-Methyloctanoic acid
Molecular formula
C9H18O2
Molecular weight
158.24

Names & synonyms

FEMA 3575HIRCINOIC ACID4-METHYLCAPRYLIC ACID(4S)-4-methyloctanoate4-Methyl-n-octanoic Acid(±)-4-Methyloctanoic acid(-)-RosiridinFEMA NUMBER 35754-methyl-octanoicaciMETHYLOCTANSAEURE, 4-

Database identifiers

CAS
54947-74-9
PubChem CID
62089
DTXSID
DTXSID70866453
ChEBI
CHEBI:179879
UNII
5545264N9R
EC Number
259-404-2
Nikkaji
J267.356H

Properties

Physicochemical properties

Melting point
-29.5 °C · -29.5°C (estimate)
Boiling point
149 °C22 · 149 °C22 mm Hg(lit.)
Density
0.91 g/mL · 0.91 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.433(lit.)
FEMA
3575 · 3575 | 4-METHYLOCTANOIC ACID
FLAVIS Number
8.063 · 08.063 | 4-Methyloctanoic acid

Safety & regulation

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
ridadr
UN 3265 8/PG 3
hs_code
2915 90 70
risk_code
34-36/37/38-21/22

Chemistry & industry

Applications · 4 items

Description4-Methyloctanoic acid, also known as Hircinoic Acid, presents as a colorless to pale-yellow oil. It is slightly soluble in chloroform, DMSO and ethyl acetate. Store in a tightly closed container in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. This substance is stable under recommended storage conditions. 4-Methyloctanoic Acid is incompatible with strong oxidizing agents as well as strong bases. This chemical causes severe skin burns and eye damage.

OccurrenceReported found in cooked mutton fat, raw and cooked mutton, lamb, and blue, cheddar, parmesan, provolone and romano cheeses

UsesHircinoic Acid, can be used as flavors and fragrance additive. It is also a building block use din sythesis of various chemical compounds such as, rac-Mono-(4-methyloctanyl)-phthalate (M566530).

General Description4-Methyloctanoic acid is a branched fatty acid commonly used in the flavor and fragrance industries. This compound gives sweaty and goaty flavors to the mutton meat and goat′s milk cheese, respectively.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
巨野众悦香料有限公司0530-8599699 13701896116 · [email protected]
济南远泽生物科技有限公司15063396929; 15063396929

Additional notes

DefinitionChEBI: 4-methyl-octanoic acid is a medium-chain fatty acid.

Related reactions

2 records

Linked notes

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