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benzyl isovalerate

Chemical Structure

General Material Information

Preferred name benzyl isovalerate
Trivial Name Benzyl isovalerate
Short Description isovaleric acid, benzyl ester
Formula C12 H16 O2
CAS Number 103-38-8
FEMA Number 2152
Flavis Number 9.458
ECHA Number 203-106-7
FDA UNII 87UKH01DMA
Nikkaji Number J36.795H
Beilstein Number 2503435
MDL MFCD00048348
COE Number 453
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 845 benzyl isovalerate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 103-38-8 ; BENZYL ISOVALERATE
Synonyms
  • benzyl 3-methyl butanoate
  • benzyl 3-methyl butyrate
  • benzyl 3-methylbutanoate
  • benzyl 3-methylbutyrate
  • benzyl iso valerate
  • benzyl isopentanoate
  • benzyl isovalerate FCC
  • benzyl isovalerate natural
  • benzyl isovalerianate
  • benzyl-iso-valerate FCC
  • butanoic acid, 3-methyl-, phenylmethyl ester
  • butyric acid, 3-methyl-, benzyl ester
  • 3-methyl butanoic acid phenyl ethyl ester
  • 3-methyl butanoic acid phenyl methyl ester
  • iso pentanoic acid phenyl methyl ester
  • iso pentanoic acid, phenylmethyl ester
  • phenyl methyl 3-methyl butanoate
  • phenylmethyl 3-methylbutanoate
  • iso propyl acetic acid benzyl ester
  • iso propyl acetic acid, benzyl ester
  • iso valeric acid benzyl ester
  • iso valeric acid, benzyl ester
  • Isovaleric acid, benzyl ester
  • NSC 46124
  • Phenylmethyl isovalerate

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

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Perfumer & Flavorists Start search
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NCBI Start search

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32043
FooDB:FDB008747
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 192.25791931152
Specific gravity @ 25 °C
Pounds per Gallon 8.171 to 8.238
Specific gravity @ 20 °C
Pounds per Gallon 8.189 to 8.256
Refractive Index 1.483 to 1.489 @ 20 °C
Boiling Point 245 to 246°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.017 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.26
Solubility
alcohol Yes
fixed oils Yes
water, 78.74 mg/L @ 25 °C (est) Yes
water No
glycerin No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, apple, pineapple, herbal, powdery, musty
Odor strength medium
Substantivity 148 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 100.00 %. sweet fruity apple pineapple herbal
Mosciano, Gerard P&F 20, No. 1, 31, (1995) Sweet, fruity and slightly powdery with a musty background
Flavor Type: Fruity
sweet, fruity, balsamic, tropical, fruit dried fruit
Mosciano, Gerard P&F 20, No. 1, 31, (1995) At 20.00 ppm. Sweet, fruity and balsamic with a tropical and dried fruit nuance

Occurrences

Safety Information

Safety information

Preferred SDS: View
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 5000 mg/kg
(Moreno, 1974j)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 829, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 829, 1974.

Inhalation Toxicity:
Not determined

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 benzyl isovalerate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 19.00 (μg/capita/day)
Structure Class: I
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: -9.40000
beverages(nonalcoholic): -2.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -200.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.40000
fruit ices: -3.40000
gelatins / puddings: -56.00000
granulated sugar: --
gravies: --
hard candy: -16.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):103-38-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7651
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
benzyl 3-methylbutanoate
Chemidplus:0000103388
RTECS:NY1415000 for cas# 103-38-8