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

dimethyl benzyl carbinyl isobutyrate
1,1-dimethyl-2-phenylethyl isobutyrate

Supplier Sponsors

Fragrance Demo Formulas
Name:(2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate
CAS Number: 59354-71-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:261-715-3
Nikkaji Web:J183.041D
XlogP3-AA:3.70 (est)
Molecular Weight:220.31180000
Formula:C14 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Category: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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.95900 to 0.96700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.980 to 8.046
Specific Gravity:0.96000 to 0.96800 @ 20.00 °C.
Pounds per Gallon - est.: 7.997 to 8.064
Refractive Index:1.48100 to 1.48500 @ 20.00 °C.
Boiling Point: 286.00 to 287.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 3.926 (est)
Soluble in:
 alcohol
 water, 6.587 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity raisin jasmin currant bud black currant bud jammy
Odor Description:at 100.00 %. fruity raisin jasmin cassis jam
Luebke, William tgsc, (1989)
Odor sample from: International Flavors & Fragrances Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Ernesto Ventós
DIMETHYL BENZYL CARBINYL ISOBUTYRATE
Indukern F&F
DIMETHYL BENZYL CARBINYL ISOBUTYRATE
Odor: FRUITY, JASMIN
Inoue Perfumery
DIMETHYL BENZYL CARBINYL ISOBUTYRATE
Lluch Essence
DIMETHYL BENZYL CARBINYL ISOBUTYRATE
Moellhausen
DMBC ISOBUTYRATE
Nagar Haveli Perfumes & Aromatics
Dimethyl Benzyl Carbinyl Isobutyrate
Odor: Fruity raisin jasmin cassis jam
Pearlchem Corporation
Dimethyl Benzyl Carbinyl Iso Butyrate
Penta International
DIMETHYL BENZYL CARBINYL ISOBUTYRATE
The John D. Walsh Company
Dimethyl Benzyl Carbinyl Iso Butyrate
Vigon International
Dimethyl Benzyl Carbinyl Isobutyrate
Odor: MILD-HERBACEOUS, FRUITY
 
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: fragrance agents
Recommendation for dimethyl benzyl carbinyl isobutyrate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for dimethyl benzyl carbinyl isobutyrate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):59354-71-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :101023
National Institute of Allergy and Infectious Diseases:Data
(2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate
Chemidplus:0059354711
 
References:
 (2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:59354-71-1
Pubchem (cid):101023
Pubchem (sid):135058478
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.60.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
2-
methyl-2-pentenoic acid
FL/FR
balsamic
conifer acetate
FR
berry
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
buttery
acetyl butyryl
FL/FR
caramellic
ethyl maltol
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
ethereal
cyclohexyl formate
FL/FR
floral
benzyl acetate
FL/FR
cassis buteneone
FR
citronellyl isovalerate
FL/FR
delta-
damascone
FL/FR
gelsone (IFF)
FL/FR
heliotropyl acetate
FL/FR
beta-
ionyl acetate
FL/FR
jasmin absolute (from chassis)
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
jasmin absolute italy (from concrete)
FL/FR
fruity
iso
amyl isovalerate
FL/FR
artemisia pallens herb oil
FL/FR
benzyl butyrate
FL/FR
benzyl propionate
FL/FR
(E)-alpha-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
fig crotonate
FR
heliotropyl isobutyrate
FL/FR
2-
hexenyl cyclopentanyl acetate
FR
neryl propionate
FL/FR
prenyl acetate
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
iso
amyl formate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu mercaptan acetate
FL/FR
(S)-
campholene acetate
FL/FR
juniper carboxaldehyde
FR
methyl ortho-anisate
FL/FR
minty
diosphenol
FL/FR
rummy
rum extract
FL/FR
spicy
black
currant bud absolute
FL/FR
myrtenal
FL/FR
spicy acetoacetate
FL/FR
sulfurous
4-
methoxy-2-methyl butane thiol
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
woody
amber carbinol
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
citronellyl isovalerate
FL/FR
diosphenol
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl ortho-anisate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
beta-
damascone
FL/FR
berry
berry
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
caramellic
ethyl maltol
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
creamy
acetyl butyryl
FL/FR
floral
heliotropyl acetate
FL/FR
jasmin absolute (from chassis)
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
jasmin absolute italy (from concrete)
FL/FR
fruity
artemisia pallens herb oil
FL/FR
benzyl acetate
FL/FR
benzyl butyrate
FL/FR
benzyl propionate
FL/FR
buchu mercaptan acetate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
heliotropyl isobutyrate
FL/FR
prenyl acetate
FL/FR
green
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
cyclohexyl formate
FL/FR
gelsone (IFF)
FL/FR
neryl propionate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
jammy
(S)-
campholene acetate
FL/FR
minty
myrtenal
FL/FR
rummy
rum extract
FL/FR
sour
2-
methyl-2-pentenoic acid
FL/FR
spicy
black
currant bud absolute
FL/FR
spicy acetoacetate
FL/FR
sulfurous
4-
methoxy-2-methyl butane thiol
FL/FR
vegetable
2-
octen-4-one
FL/FR
woody
delta-
damascone
FL/FR
beta-
ionyl acetate
FL/FR
 
Potential Uses:
FRcurrant
FRcurrant black currant
FL/FRcurrant bud absolute replacer
FRfruit
 jam
FRjasmin
FRraisin
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzyl propyl isobutyrate
 dimethyl benzyl carbinol isobutyrate
 dimethyl benzyl carbinyl iso butyrate
 dimethyl benzyl carbinyl isobutyrate
alpha,alpha-dimethyl phenethyl isobutyrate
1,1-dimethyl-2-phenyl ethyl isobutyrate
1,1-dimethyl-2-phenylethyl isobutyrate
 DMBC isobutyrate
2-methyl propanoic acid 1,1-dimethyl-2-phenyl ethyl ester
2-methyl-1-phenylpropan-2-yl 2-methylpropanoate
(2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate
 propanoic acid, 2-methyl-, 1,1-dimethyl-2-phenylethyl ester
 raisin isobutyrate
 

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