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4-methyl octanoic acid

Chemical Structure

General Material Information

Preferred name 4-methyl octanoic acid
Trivial Name 4-Methyloctanoic acid
Short Description 4-methyloctanoic acid
Formula C9 H18 O2
CAS Number 54947-74-9
FEMA Number 3575
Flavis Number 8.063
ECHA Number 259-404-2
FDA UNII 5545264N9R
Nikkaji Number J267.356H
MDL MFCD00051938
COE Number 11926
xLogP3-AA 3.00 (est)
NMR Predictor External link
JECFA Food Flavoring 271 4-methyloctanoic acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 54947-74-9 ; 4-METHYLOCTANOIC ACID
Synonyms
  • 4-methyl caprylic acid
  • 4-methyl octanoic acid natural
  • 4-methylcaprylic acid
  • (±)-4-methyloctanoic acid
  • 4-methyloctanoic acid
  • 4-methyloctanoicacid
  • iso nonanoic acid
  • octanoic acid, 4-methyl-
  • 4-Methyloctanoic acid
  • 4-Methylcaprylic acid
  • Hircinoic acid

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB31557
FooDB:FDB008170
Export Tariff Code:2915.90.1800
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 158.24085998535
Specific gravity @ 25 °C
Pounds per Gallon 7.514 to 7.63
Refractive Index 1.428 to 1.44 @ 20 °C
Boiling Point 120 to 122°C @ 2 mm Hg
Vapor Pressure 0.006 mmHg @ 25 °C
Vapor Density 5.4
Flash Point TCC Value 110 °C TCC
logP (o/w) 3.089 est
Solubility
alcohol Yes
water, 195.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fatty
fatty, waxy, musty, plastic, dairy, creamy, milky, lactonic
General comment At 10.00 % in propylene glycol. fatty waxy musty plastic dairy creamy milk
Mosciano, Gerard P&F 19, No. 4, 45, (1994) Waxy, fatty, dairy, creamy, milky and lactonic
Flavor Type: Fatty
fatty, waxy, creamy, lactonic, metallic
Mosciano, Gerard P&F 19, No. 4, 45, (1994) At 20.00 ppm. Fatty, waxy, creamy and lactonic with metallic nuances
4-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. Fatty

Occurrences

Potential Uses

Applications
Odor purposes Tobacco
Flavoring purposes Butter, Cheese, Cream, Dairy, Fish, Lamb, Meat, Milk, Tea

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 4-methyl octanoic acid usage levels up to:
0.0200 % in the fragrance concentrate.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: -3.00000
chewing gum: --
condiments / relishes: --
confectionery froastings: -0.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.00000
fruit ices: --
gelatins / puddings: -0.15000
granulated sugar: --
gravies: -0.15000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.15000
milk products: -3.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -3.00000
soft candy: --
soups: -0.15000
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):54947-74-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62089
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3265
WGK Germany:1
4-methyloctanoic acid
Chemidplus:0054947749