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

isopropyl benzoate
benzoic acid, isopropyl ester

Supplier Sponsors

Name:propan-2-yl benzoate
CAS Number: 939-48-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:213-361-6
FDA UNII:1Q2618834N
Nikkaji Web:J36.027I
Beilstein Number:2044384
MDL:MFCD00048289
CoE Number:652
XlogP3:3.20 (est)
Molecular Weight:164.20404000
Formula:C10 H12 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:cosmetic, 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:855 isopropyl benzoate
FLAVIS Number:09.770 (Old)
DG SANTE Food Flavourings:09.770 isopropyl benzoate
FEMA Number:2932 isopropyl benzoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):939-48-0 ; ISOPROPYL BENZOATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 215.00 to 218.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.107000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 3.180
Soluble in:
 alcohol
 water, 126 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
sweet fruity floral balsamic
Odor Description:at 100.00 %. sweet fruity floral balsamic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
preservatives
 
Suppliers:
BOC Sciences
For experimental / research use only.
Benzoic acid,1-methylethyl ester
Inoue Perfumery
isoPROPYL BENZOATE
Matrix Scientific
For experimental / research use only.
isoPropyl Benzoate
Penta International
ISOPROPYL BENZOATE
Santa Cruz Biotechnology
For experimental / research use only.
isoPropyl Benzoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoPropyl Benzoate
TCI AMERICA
For experimental / research use only.
isoPropyl Benzoate >99.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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 3730 mg/kg
(Smyth et al., 1951a)

oral-rat LD50 3730 mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Dermal Toxicity:
skin-rabbit LD50 20 ml/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: cosmetic, flavor and fragrance agents
limits in the finished product for - "leave on the skin contact":
  0.5000 % Recommendation.
limits in the finished product for - "wash off the skin contact":
  0.5000 % Recommendation.
limits in the finished product for - "no skin contact":
  5.0000 % Recommendation.
Recommendation for isopropyl benzoate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.30 (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
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.00000
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
EPA Substance Registry Services (TSCA):939-48-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13654
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
propan-2-yl benzoate
Chemidplus:0000939480
RTECS:DH3150000 for cas# 939-48-0
 
References:
 propan-2-yl benzoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:939-48-0
Pubchem (cid):13654
Pubchem (sid):134979107
Flavornet:939-48-0
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 Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32038
FooDB:FDB008740
Export Tariff Code:2916.31.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
3-
methyl-4-hexyl oxybutyraldehyde
FR
balsamic
benzyl benzoate
FL/FR
cinnamyl cinnamate
FL/FR
cinnamyl formate
FL/FR
cyclohexyl benzoate
FL/FR
alpha-
methyl cinnamyl alcohol
FR
citrus
(R)-
citronellyl nitrile
FR
citronitrile (Symrise)
FR
2-
heptanol
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
fermented
methyl decanoate
FL/FR
floral
acetal 318
FR
iso
amyl angelate
FL/FR
azalea fragrance
FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl isobutyrate
FL/FR
blue lagoon fragrance
FR
cananga oil
FL/FR
cananga oil china
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl acetone
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
cyclohexyl salicylate
FR
cymbopogon validus leaf oil
FR
(E,E)-
digeranyl ether
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
3,6-
dimethyl-3-octyl acetate
FR
ethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
eucalyptus macarthurii oil
FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
hibiscus fragrance
FR
ionone mixed isomers
FL/FR
jasmin cyclopentanone
FR
iso
jasmone
FL/FR
linalyl butyrate
FL/FR
magnolia flower oil CO2 extract
FL/FR
magnolia specialty
FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
methoxymelonal
FL/FR
1-(2-
methyl allyl oxy)-3-methoxy-3-methyl-1-butane
FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
mimusops elengi flower oil
FR
narcissus acetate
FL/FR
pink
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
neryl benzoate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
osmanthus absolute replacer
FR
osmanthus concrete
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl salicylate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
3-
phenyl propyl propionate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
(Z,E)-
phytol
FL/FR
phytol
FL/FR
2-iso
propoxyethyl salicylate
FR
rhodinyl butyrate
FL/FR
rose undecene
FR
souroubea specialty
FR
star fruit oil cuba
FL/FR
styralyl propionate
FL/FR
terpinyl valerate
FL/FR
tetrahydroionyl acetate
FR
fruity
allyl benzoate
FR
apricot essence
FL/FR
benzaldehyde / methyl anthranilate schiff's base
FR
benzyl propionate
FL/FR
benzyl valerate
FL/FR
berry hexanoate
FR
butyl 2-naphthyl ether
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(R)-gamma-
dodecalactone
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl levulinate
FL/FR
ginsene
FR
heptyl isobutyrate
FL/FR
linalool oxide acetates
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl bicycloheptenyl methyloxirane carboxylate
FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
myrascone
FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
peach nitrile
FR
plum damascone (high alpha)
FR
sambucus canadensis fruit absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
(R)-
styralyl acetate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical ionone
FL/FR
cis-
woody acetate
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl salicylate
FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
herbal
cananga fruit oil
FR
chamomile isobutyrate
FR
chamomile propionate
FR
eucalyptus citriodora oil
FR
geranium cyclohexane
FR
methyl cyclogeranate (Firmenich)
FR
tagete oil madagascar
FL/FR
green
tea leaf absolute
FL/FR
honey
methyl hydrocinnamate
FL/FR
medicinal
ortho-
cresyl acetate
FL/FR
powdery
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
amyl isoeugenol
FR
para-
anisyl formate
FL/FR
cananga leaf oil
FR
cinnamaldehyde / methyl anthranilate schiff's base
FR
cinnamyl acetate
FL/FR
iso
eugenyl acetate
FL/FR
honey extract
CS
black
poplar bud absolute
FR
spicy acetoacetate
FL/FR
tropical
triflaige A (ZEON)
FR
waxy
dihydrocitronellyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
phytyl acetate
FL/FR
woody
2-
decalinyl acetate
FR
melozol acetate
FR
rhubarb oxirane
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl angelate
FL/FR
benzyl valerate
FL/FR
butyl 2-naphthyl ether
FL/FR
2-
butyl thiophene
FL
citronellyl acetone
FL/FR
ortho-
cresyl acetate
FL/FR
cyclohexyl benzoate
FL/FR
(E,E)-
digeranyl ether
FL/FR
dihydrocitronellyl acetate
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
(R)-gamma-
dodecalactone
FL/FR
ethyl 3-hydroxyoctanoate
FL
ethyl ethyl anthranilate
FL/FR
4-
hydroxyphenethyl alcohol
FL
ionone mixed isomers
FL/FR
linalool oxide acetates
FL/FR
magnolia flower oil CO2 extract
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-
methyl geranate
FL/FR
methyl hydrocinnamate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
narcissus acetate
FL/FR
neryl benzoate
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
3-
phenyl propyl propionate
FL/FR
phytyl acetate
FL/FR
(R)-
styralyl acetate
FL/FR
vitispirane
FL
yuzunone
FL
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
balsamic
balsamic
benzyl benzoate
FL/FR
(Z,E)-
phytol
FL/FR
berry
heptyl isobutyrate
FL/FR
burnt
ethyl 2-furoate
FL
citrus
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
pseudo
ionone
FL
linalyl butyrate
FL/FR
2-
methyl butyl 3-methyl butenoate
FL
(E)-alpha-
methyl ionone (74-80%)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
phytol
FL/FR
rhodinyl butyrate
FL/FR
tropical ionone
FL/FR
fruity
apricot essence
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
iso
butyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
ethyl anthranilate
FL/FR
ethyl levulinate
FL/FR
2-
heptanol
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 4-phenyl butyrate
FL
para-
methyl benzyl acetate
FL/FR
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
osmanthus concrete
FL/FR
phenethyl isovalerate
FL/FR
2-
phenyl-4-pentenal
FL
sambucus canadensis fruit absolute
FL/FR
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
tagete oil madagascar
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
iso
jasmone
FL/FR
honey
phenethyl isobutyrate
FL/FR
medicinal,
phenethyl salicylate
FL/FR
spicy
para-
anisyl formate
FL/FR
cinnamyl acetate
FL/FR
cinnamyl cinnamate
FL/FR
cinnamyl formate
FL/FR
iso
eugenyl acetate
FL/FR
spicy acetoacetate
FL/FR
tea
green
tea leaf absolute
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
waxy
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
woody
methyl ionyl acetate
FL/FR
 
Potential Uses:
FRfloral
FRfruit
 preservatives
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 cocoa
Search Trop Picture
 honey
Search PMC Picture
 pear fruit
Search Trop Picture
 
Synonyms:
 benzoic acid 1-methyl ethyl ester
 benzoic acid 1-methylethyl ester
 benzoic acid isopropyl ester
 benzoic acid, 1-methylethyl ester
 benzoic acid, isopropyl ester
1-methyl ethyl benzoate
1-methylethyl benzoate
 propan-2-yl benzoate
 
 
Notes:
Present in feijoa fruit (Feijoa sellowiana), apple, pear, cocoa and honey. Flavouring ingredient
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