EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

benzyl hexanoate
benzyl caproate

Sponsors

Name:benzyl hexanoate
CAS Number: 6938-45-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:230-068-9
FDA UNII:U7PS33DRSK
Nikkaji Web:J141.581F
MDL:MFCD00672787
CoE Number:10521
XlogP3:3.90 (est)
Molecular Weight:206.28486000
Formula:C13 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:2061 benzyl hexanoate
FLAVIS Number:09.316 (Old)
DG SANTE Food Flavourings:09.316 benzyl hexanoate
FEMA Number:4026 benzyl hexanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: BENZYL HEXANOATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97800 to 0.98500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.138 to 8.196
Refractive Index:1.48600 to 1.49200 @ 20.00 °C.
Boiling Point: 270.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.004000 mm/Hg @ 25.00 °C. (est)
Flash Point: 221.00 °F. TCC ( 105.00 °C. )
logP (o/w): 4.036 (est)
Soluble in:
 alcohol
 water, 14.26 mg/L @ 25 °C (est)
Similar Items:note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
isopropyl hexanoate
sulfuryl hexanoate
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
green apricot fruity gardenia jasmin
Odor Description:at 100.00 %. green apricot fruity gardenia jasmin
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Benzyl Hexanoate
Ernesto Ventós
BENZYL HEXANOATE
Odor: SWEET,APRICOT,FLORAL,SLIGHT GREEN
Inoue Perfumery
BENZYL HEXANOATE
Parchem
benzyl hexanoate
Penta International
BENZYL HEXANOATE
Synerzine
Benzyl Caproate
 
Safety Information:
 
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
Recommendation for benzyl hexanoate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.75 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 21
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 1.000005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted 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) (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

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

Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): 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
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :23367
National Institute of Allergy and Infectious Diseases:Data
benzyl hexanoate
Chemidplus:0006938450
 
References:
 benzyl hexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:6938-45-0
Pubchem (cid):23367
Pubchem (sid):134987528
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32176
FooDB:FDB009017
Export Tariff Code:2915.90.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Benzyl hexanoate
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
tiglaldehyde
FL/FR
animal
animal
para-
cresyl isobutyrate
FL/FR
balsamic
fir carboxylate
FR
fatty
3-
decen-2-one
FL/FR
hexyl pivalate
FR
methyl 2-hexenoate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
anise indene
FR
citronellyl propionate
FL/FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
gardenia oxide
FR
(E)-
geranyl acetone
FL/FR
lily propanol
FR
nyctanthes arbor-tristis flower oil
FR
papaya isobutyrate
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
allyl propionate
FL/FR
amyl hexanoate
FL/FR
para-
anisyl valerate
FL/FR
apricot isobutyrate
FR
benzyl heptanoate
FL/FR
berry pentadienoate
FL/FR
2-
butanol
FL/FR
decen-1-yl cyclopentanone
FL/FR
dihydroactinidolide
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
(R)-delta-
dodecalactone
FL/FR
gamma-
dodecalactone
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
geranyl isovalerate
FL/FR
heptyl isobutyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
beta-
ionyl ethyl ether
FR
linalyl hexanoate
FL/FR
methyl valerate
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
propyl butyrate
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde methyl hexyl acetal
FR
butyl 2-methyl butyrate
FL/FR
cognac heptanone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
green dioxolane
FR
iso
green methanoindene
FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
2-
hexenyl acetate
FL/FR
hexyl (Z)-tiglate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
sorbyl isobutyrate
FL/FR
thiogeraniol
FL/FR
herbal
tricyclodecyl acetate
FR
sulfurous
buchu mercaptan
FL/FR
waxy
9-
decenoic acid
FL/FR
(E)-
methyl geranate
FL/FR
woody
woody acetate
FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
allyl tiglate
FL
para-
anisyl valerate
FL/FR
benzyl heptanoate
FL/FR
2-
butanol
FL/FR
butyl 2-methyl butyrate
FL/FR
dihydroactinidolide
FL/FR
(R)-delta-
dodecalactone
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal diethyl acetal
FL
2-
hexenyl acetate
FL/FR
hexyl (Z)-tiglate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 4-pentenoate
FL
(E)-
methyl geranate
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
(E)-
tiglaldehyde
FL/FR
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
aromatic
para-
cresyl isobutyrate
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
cognac heptanone
FL/FR
earthy
1-
hexen-3-yl acetate
FL
fatty
ethyl (E)-4-decenoate
FL/FR
floral
citronellyl propionate
FL/FR
(E)-
geranyl acetone
FL/FR
fruity
amyl hexanoate
FL/FR
berry pentadienoate
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
gamma-
dodecalactone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
2-
furyl pentyl ketone
FL
hexanal propylene glycol acetal
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
methyl valerate
FL/FR
propyl butyrate
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
3-
decen-2-one
FL/FR
geranyl isovalerate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
minty
thiogeraniol
FL/FR
sour
3-
methyl valeric acid
FL
sulfurous
buchu mercaptan
FL/FR
waxy
9-
decenoic acid
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRacacia
FRagrumen aldehyde
 algae
 amaryllis
FRapple green apple
FRapricot
FLartichoke
FL/FRasafoetida
FLasparagus
FRavocado
FRbasil oil replacer
 boxwood
 boxwood blossom
 boxwoodberry
FLbrandy apricot brandy
FL/FRcajeput
FLcarrot
FL/FRcarrot seed
FRcelery
FRchamomile
FL/FRcilantro
FRclary sage oil replacer
FRclematis
FRcognac
 cortex
FRcostus
FRcucumber
FL/FRcurrant bud absolute replacer
FRdaffodil
FRevergreen
FRfennel
FRfern
FRfig
 fir
 foliage
FRfrangipani plumeria
FRgalbanum
FRgardenia
FRgreen
FRgreen grass
FRgreen leaf
FRguava
FRhop
FRhyacinth
FRhydrangea
FRivy
FRjonquil
 leaf
FRlotus
FL/FRmarjoram
FRmimosa
FRnarcissus
FRpansy
FL/FRparsley leaf
FLpear prickly pear
FLpepper bell pepper
FL/FRpine scotch pine
 privet
 privet blossom
FRreseda
FRrhubarb
FRrose geranium
FL/FRrose leaf
 stem
 strawberry leaf
FLvegetable
 weedy
 
Occurrence (nature, food, other):note
 heracleum paphlagonicum czeczott fruit oil turkey @ 0.10%
Data GC Search Trop Picture
 
Synonyms:
 benzyl caproate
 benzyl N-hexanoate
 hexanoic acid benzyl ester
 hexanoic acid phenyl methyl ester
 hexanoic acid, phenylmethyl ester
 phenylmethyl hexanoate
 
 
Notes:
Used as a food additive [EAFUS]
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