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

isobutyl benzoate
benzoic acid, isobutyl ester

Sponsors

Fragrance Demo Formulas
Name:2-methylpropyl benzoate
CAS Number: 120-50-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-401-3
FDA UNII:KQ6XZ9WJII
Nikkaji Web:J46.183K
Beilstein Number:2045961
MDL:MFCD00048344
CoE Number:567
XlogP3:3.60 (est)
Molecular Weight:178.23098000
Formula:C11 H14 O2
BioActivity Summary:listing
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:856 isobutyl benzoate
FLAVIS Number:09.757 (Old)
DG SANTE Food Flavourings:09.757 isobutyl benzoate
FEMA Number:2185 isobutyl benzoate
FDA Mainterm: ISOBUTYL 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
Specific Gravity:0.99400 to 0.99900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.271 to 8.313
Refractive Index:1.48900 to 1.49600 @ 20.00 °C.
Boiling Point: 242.00 °C. @ 760.00 mm Hg
Boiling Point: 124.00 to 125.00 °C. @ 20.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.037000 mm/Hg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.11 °C. )
logP (o/w): 3.230
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 98.34 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
Substantivity:16 hour(s) at 100.00 %
sweet fruity musty powdery balsamic
Odor Description:at 100.00 %. sweet fruity musty powdery balsam
Luebke, William tgsc, (1989)
Odor sample from: Fragrance Resources Inc.
fruity chemical sweet cherry fruity balsamic
Odor Description:Fruity, chemical, sweet, cherry fruity, with a balsamic nuance
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Flavor Type: fruity
fruity balsamic cherry fruity
Taste Description: at 20.00 ppm. Fruity, balsamic, cherry and fruity taste
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Odor and/or flavor descriptions from others (if found).
Alfrebro
ISOBUTYL BENZOATE NATURAL
Odor Description:Floral, Rose, Berry, Plum
Moellhausen
IsoBUTYL BENZOATE
Odor Description:sweet aromatic, fruity, musty, balsamic
Taste Description:sweet aromatic, fruity
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
preservatives
solvents
 
Suppliers:
Alfrebro
ISOBUTYL BENZOATE NATURAL
Odor: Floral, Rose, Berry, Plum
Apiscent Labs
ISOBUTYL BENZOATE
Odor: Floral-leafy odor reminiscent of rose and geranium
Berjé
isoButyl Benzoate
Happening at Berje
BOC Sciences
For experimental / research use only.
isoButyl Benzoate
Charkit Chemical
ISOBUTYL BENZOATE FEMA 2185
Ernesto Ventós
IsoBUTYL BENZOATE
Odor: FLORAL, ROSY, GERANIUM
Frutarom
isoBUTYL BENZOATE
Global Essence
isoButyl Benzoate
Grau Aromatics
iso-BUTYL-BENZOATE
NI, Kosher
Indukern F&F
ISOBUTYL BENZOATE
Odor: SWEET, FRUITY, BALSAMIC
Inoue Perfumery
isoBUTYL BENZOATE
Lluch Essence
isoBUTYL BENZOATE
M&U International
NAT. isoBUTYL BENZOATE
Moellhausen
IsoBUTYL BENZOATE
Odor: sweet aromatic, fruity, musty, balsamic
Flavor: sweet aromatic, fruity
PCAS
isoButyl Benzoate, Kosher
Penta International
ISOBUTYL BENZOATE, Kosher
Penta International
isoButyl BENZOATE, NATURAL
Reincke & Fichtner
isoButyl Benzoate
Santa Cruz Biotechnology
For experimental / research use only.
isoButyl Benzoate ≥98%
SRS Aromatics
isoBUTYL BENZOATE
TCI AMERICA
For experimental / research use only.
isoButyl Benzoate >99.0%(GC)
The Good Scents Company
isobutyl benzoate
Odor: sweet fruity musty powdery balsam
Treatt
isoButyl Benzoate
Ungerer & Company
isoButyl Benzoate
WEN International
ISOBUTYL BENZOATE Natural
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
 
Pictogramexclamation-mark.jpg
 
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
gavage-rat LD50 [sex: M,F] 3685 mg/kg
(Levenstein, 1973e)

oral-rat LD50 5600 mg/kg
Toksikologicheskii Vestnik. Vol. (4), Pg. 40, 1994.

oral-mouse LD50 4800 mg/kg
Toksikologicheskii Vestnik. Vol. (4), Pg. 40, 1994.

Dermal Toxicity:
Not determined
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":
  8.0000 % Recommendation.
Recommendation for isobutyl benzoate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (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
 average usual ppmaverage maximum ppm
baked goods: 10.0000023.00000
beverages(nonalcoholic): 2.000009.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -7.90000
fruit ices: -7.90000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -12.00000
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
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):120-50-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61048
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-methylpropyl benzoate
Chemidplus:0000120503
RTECS:DH4185000 for cas# 120-50-3
 
References:
 2-methylpropyl benzoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:120-50-3
Pubchem (cid):61048
Pubchem (sid):135018858
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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40583
FooDB:FDB020365
Export Tariff Code:2916.31.1190
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
amber
cistus ladaniferus resinoid
FR
animal
animal carbolactone
FR
civet absolute
FL/FR
costus valerolactone
FR
para-
cresyl caprylate
FL/FR
indole
FL/FR
anisic
para-
acetanisole
FL/FR
para-
anisyl phenyl acetate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl cinnamate
FL/FR
benzyl salicylate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
hexyl cinnamate
FR
methyl cinnamate
FL/FR
octyl benzoate
FR
peru balsam oil
FL/FR
2-
phenoxyethyl formate
FR
3-
phenyl propyl alcohol
FL/FR
phenyl salicylate
FR
terpinyl butyrate
FL/FR
berry
raspberry ketone methyl ether
FL/FR
buttery
acetoin
FL/FR
chemical
propyl propionate
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
earthy
octyl phenyl acetate
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
alpha-
amyl cinnamyl acetate
FL/FR
iso
amyl salicylate
FL/FR
azalea fragrance
FR
benzyl acetate
FL/FR
benzyl acetone
FL/FR
benzyl alcohol
FL/FR
bois de rose oil brazil
FL/FR
boronia absolute
FL/FR
iso
butyl salicylate
FL/FR
coranol (Firmenich)
FR
dihydrolinalool
FL/FR
dimethyl benzyl carbinol
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
floral pyranol
FR
heliotropyl acetone
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
dextro-
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
nerolidol
FL/FR
ocean propanal
FL/FR
papaya isobutyrate
FL/FR
phenethyl alcohol
FL/FR
phytol
FL/FR
tetrahydrolinalool
FL/FR
fruity
acetoin acetate
FL/FR
bitter
almond oil
FL/FR
para-
anisyl propionate
FL/FR
benzaldehyde glycrol acetal
FL/FR
benzyl isovalerate
FL/FR
cherry oxyacetate
FL/FR
cherry propanol
FL/FR
ethyl benzoyl acetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
para-
tolualdehyde
FL/FR
meta-
tolualdehyde
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
melon
watermelon ketone
FR
mossy
veramoss (IFF)
FR
musk
musk dec-7(8)-enone
FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
phenolic
methyl benzoate
FL/FR
powdery
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
spicy
cinnamyl propionate
FL/FR
iso
eugenyl acetate
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
sulfurous
grapefruit menthane
FL/FR
terpenic
frankincense oil
FL/FR
tobacco
honey absolute
FL/FR
tonka
tonka bean absolute
FR
vanilla
vanilla specialty
FR
vanillyl acetate
FL/FR
waxy
ethyl laurate
FL/FR
woody
cedarwood oil texas fractions
FR
cyperus root oil (cyperus rotundus)
FR
guaiacwood oil
FL/FR
patchouli ethanone
FR
patchouli oil
FL/FR
santall
FR
woody acetate
FR
For Flavor
No flavor group found for these
para-
anisyl propionate
FL/FR
ethyl 2-phenyl-3-furoate
FL
ethyl linalyl ether
FL/FR
dextro-
linalool
FL/FR
methyl furfuracrylate
FL
octyl phenyl acetate
FL/FR
terpinyl butyrate
FL/FR
animal
animal
civet absolute
FL/FR
para-
cresyl caprylate
FL/FR
indole
FL/FR
anisic
para-
acetanisole
FL/FR
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
iso
butyl cinnamate
FL/FR
peru balsam oil
FL/FR
berry
heliotropyl acetone
FL/FR
raspberry ketone methyl ether
FL/FR
citrus
linalool
FL/FR
laevo-
linalool
FL/FR
cooling
iso
butyl salicylate
FL/FR
creamy
acetoin
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
bois de rose oil brazil
FL/FR
cinnamyl propionate
FL/FR
dihydrolinalool
FL/FR
linalyl anthranilate
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
phytol
FL/FR
tetrahydrolinalool
FL/FR
fruity
acetoin acetate
FL/FR
bitter
almond oil
FL/FR
iso
amyl benzoate
FL/FR
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
benzaldehyde glycrol acetal
FL/FR
benzyl acetate
FL/FR
benzyl acetone
FL/FR
benzyl alcohol
FL/FR
benzyl isovalerate
FL/FR
boronia absolute
FL/FR
cherry oxyacetate
FL/FR
cherry propanol
FL/FR
ethyl benzoyl acetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
meta-
tolualdehyde
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
green
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
linalool oxide
FL/FR
nerolidol
FL/FR
papaya isobutyrate
FL/FR
herbal
3,6-
dimethyl-3-octanol
FL/FR
honey
honey absolute
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
orris
costus root oil
FL
phenolic
methyl benzoate
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
powdery ketone
FL
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
benzyl cinnamate
FL/FR
iso
eugenyl acetate
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
methyl cinnamate
FL/FR
3-
phenyl propyl alcohol
FL/FR
para-
tolualdehyde
FL/FR
sulfurous
grapefruit menthane
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
propyl propionate
FL/FR
vanilla
vanillyl acetate
FL/FR
waxy
ethyl laurate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
woody
amyris wood oil
FL/FR
frankincense oil
FL/FR
guaiacwood oil
FL/FR
patchouli oil
FL/FR
 
Potential Uses:
FRacacia cassie farnesiana
FRamber
 ambrosia
FRbanana
FL/FRcaraway
FRcarnation dianthus oeillet
FRcherry
FRclover trefle le'trefle incarnat
FReglantine sweet briar
 exotic
FRfern fougere
 fixer
FRfloral
 foliage
FRgeranium
FRincense
FRjasmin
 lily tiger lily
FRlotus
FLnut
FRorange blossom
FRorchid
FRpineapple
FRplum
FRprune
FRrose
FRsweet pea
FLtropical
FRtuberose
 
Occurrence (nature, food, other):note
 banana fruit
Search Trop Picture
 cassie absolute @ 0.04%
Data GC Search Trop Picture
 cherry
Search PMC Picture
 cider
Search PMC Picture
 cocoa
Search Trop Picture
 papaya fruit
Search Trop Picture
 
Synonyms:
 benzoic acid 2-methyl propyl ester
 benzoic acid isobutyl ester
 benzoic acid, 2-methylpropyl ester
 benzoic acid, isobutyl ester
isobutyl benzenecarboxylate
isobutyl benzoate natural
iso-butyl-benzoate
2-methyl propyl benzoate
2-methylpropyl benzoate
2-methylpropyl-benzoate
 
 
Notes:
Used in perfumery and food flavouring. Present in banana, sweet cherry, papaya, beer, cider and cocoa
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy