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methyl valerate

Chemical Structure

General Material Information

Preferred name methyl valerate
Trivial Name Methyl pentanoate
Short Description pentanoic acid, methyl ester
Formula C6 H12 O2
CAS Number 624-24-8
FEMA Number 2752
Flavis Number 9.182
ECHA Number 210-838-0
FDA UNII ZW21JJJ9VN
Nikkaji Number J43.509K
Beilstein Number 1741905
MDL MFCD00009478
COE Number 588
NMR Predictor External link
JECFA Food Flavoring 159 methyl valerate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 624-24-8 ; METHYL VALERATE
Synonyms
  • methyl pentanoate
  • methyl valerianate
  • methyl-valerate
  • pentanoic acid methyl ester
  • pentanoic acid, methyl ester
  • valeric acid methyl ester
  • valeric acid, methyl ester
  • Methyl n-valerate
  • 4-Methylbutanoic acid methyl ester

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

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Literature & References

methyl pentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:624-24-8
Pubchem (cid):12206
Pubchem (sid):134977309
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)

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
Golm Metabolome Database:Search
HMDB (The Human Metabolome Database):HMDB31207
FooDB:FDB003229
Export Tariff Code:2915.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 116.16004180908
Specific gravity @ 20 °C
Pounds per Gallon 7.414 to 7.439
Refractive Index 1.395 to 1.399 @ 20 °C
Boiling Point 118 to 119°C @ 760 mm Hg
Boiling Point 44 to 45°C @ 50 mm Hg
Vapor Pressure 11.043 mmHg @ 25 °C
Flash Point TCC Value 22.22 °C TCC
logP (o/w) 1.96
Solubility
alcohol Yes
dipropylene glycol Yes
water, 5060 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, green, fruity, apple, pineapple, nutty, tutti frutti, juicy, bubble gum, sweaty, estery
General comment At 1.00 % in dipropylene glycol. sweet green fruity apple pineapple nutty
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 1.00 %. Sweet, tutti frutti, juicy bubble gum-like with a sweaty nuance. It lends a sweet estery, syrupy fruity background
Flavor Type: Fruity
sweet, ripe, fruity, sweaty, dairy, cheesy
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 5.00 - 20.00 ppm. Sweet, ripe, fruity with sweaty dairy and cheese nuances

Occurrences

Potential Uses

Applications
Odor purposes Apple, Citrus, Grape, Kiwi, Melon, Orange, Papaya, Pepper, Pineapple, Strawberry, Valerian, Woody
Flavoring purposes Valerian
Other purposes Dry
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 20 - Harmful by inhalation.
S 02 - Keep out of the reach of children.
S 07/09 - Keep container tightly closed and in well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
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.
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:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1978b)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-mouse LC50 6600 mg/m3/2H
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 88, 1982.

inhalation-mammal (species unspecified) LC50 6600 mg/m3
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for methyl valerate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 30.00 (μg/capita/day)
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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -39.00000
beverages(nonalcoholic): -9.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -25.00000
fruit ices: -25.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -28.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):624-24-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12206
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:2
methyl pentanoate
Chemidplus:0000624248
EPA/NOAA CAMEO:hazardous materials
RTECS:YV7750500 for cas# 624-24-8