4-Methyloctanoic acid

4-Methyloctanoic acid Basic information
Product Name:4-Methyloctanoic acid
Synonyms:(R,S)-(+/-)-4-METHYLOCTANOIC ACID;4-methyl-octanoicaci;(+/-)-4-METHYLOCTANOIC ACID;4-METHYLOCTANOIC ACID;Octanoic acid, 4-methyl-;FEMA NUMBER 3575;4-METHYLOCTANOIC ACID 98+%;METHYLOCTANSAEURE, 4-
CAS:54947-74-9
MF:C9H18O2
MW:158.24
EINECS:259-404-2
Product Categories:acid Flavor;Alphabetical Listings;Flavors and Fragrances;M-N;API intermediates
Mol File:54947-74-9.mol
4-Methyloctanoic acid Structure
4-Methyloctanoic acid Chemical Properties
Melting point -29.5°C (estimate)
Boiling point 149 °C22 mm Hg(lit.)
density 0.91 g/mL at 25 °C(lit.)
refractive index n20/D 1.433(lit.)
FEMA 3575 | 4-METHYLOCTANOIC ACID
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly)
pka4.78±0.10(Predicted)
form clear liquid
color Colorless to Light yellow to Light orange
Odorat 10.00 % in propylene glycol. fatty waxy musty plastic dairy creamy milk
Odor Typefatty
JECFA Number271
BRN 1755426
InChIKeyLEGGANXCVQPIAI-UHFFFAOYSA-N
LogP3.25
CAS DataBase Reference54947-74-9(CAS DataBase Reference)
NIST Chemistry Reference4-Methyloctanoic acid(54947-74-9)
EPA Substance Registry System4-Methyloctanoic acid (54947-74-9)
Safety Information
Hazard Codes C,Xi,Xn
Risk Statements 34-36/37/38-21/22
Safety Statements 26-36/37/39-45
RIDADR UN 3265 8/PG 3
WGK Germany 1
TSCA Yes
HS Code 2915 90 70
HazardClass 8
PackingGroup III
MSDS Information
ProviderLanguage
4-Methyloctanoic acidEnglish
SigmaAldrichEnglish
ALFAEnglish
4-Methyloctanoic acid Usage And Synthesis
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.
Chemical Properties4-Methyloctanoic acid has a fatty, musty, plastic odor. This compound is also reported to have a goat, costus, mutton odor
Physical properties4-Methyloctanoic acid is one of the acids mainly responsible for the so-called “soo” odour of mutton. The analogue 4-Ethyloctanoic acid (found in Virginia tobacco and Costus root oil) also has a related goaty odor; this analog has the lowest threshold of all the fatty acids at 1.8 ppb. 4-Methyloctanoic acid is used in flavours for cheese, meat, tobacco and (possibly) fish. Normal use levels in finished consumer product: up to 3 ppm.
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).
DefinitionChEBI: 4-methyl-octanoic acid is a medium-chain fatty acid.
Aroma threshold valuesAroma characteristics at 1.0% in PG: waxy, fatty, meaty, reheated beef-like with a slightly lactonic cheesy nuance
Taste threshold valuesTaste characteristics at 10 ppm: fatty, waxy, creamy and lactonic with a satiating fatty mouthfeel and metallic nuances.
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.
Biochem/physiol ActionsTaste at 10 ppm
4-Methyloctanoic acid Preparation Products And Raw materials
Raw materials1-Hexanol, 2-methylene-–>Propanedioic acid, 2-(2-methylhexyl)-, 1,3-diethyl ester–>2-METHYL-1-HEXANOL–>ETHYL 4-METHYLOCTANOATE–>1-BROMO-2-METHYLHEXANE–>2-methylenehexanal–>2-methylhexanoic acid–>CARBON DIOXIDE–>Hexanal
Preparation ProductsBUTYLFORMAMIDE–>2,5-diMethylheptanoic acid

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