dimethyl benzyl carbinyl isobutyrate
1,1-dimethyl-2-phenylethyl isobutyrate
 
Notes:
None found
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Fragrance Demo Formulas
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
 
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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 mmHg @ 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
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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 and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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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
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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
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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.
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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
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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
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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
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2915.60.0000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
acidic
2-methyl-2-pentenoic acidFL/FR
balsamic
 conifer acetateFR
berry
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
buttery
 acetyl butyrylFL/FR
caramellic
 ethyl maltolFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
ethereal
 cyclohexyl formateFL/FR
floral
 benzyl acetateFL/FR
 cassis buteneoneFR
 citronellyl isovalerateFL/FR
delta-damasconeFL/FR
 gelsone (IFF)FL/FR
 heliotropyl acetateFL/FR
beta-ionyl acetateFL/FR
 jasmin absolute (from chassis)FL/FR
 jasmin absolute egypt (from concrete)FL/FR
 jasmin absolute italy (from concrete)FL/FR
fruity
isoamyl isovalerateFL/FR
 artemisia pallens herb oilFL/FR
 benzyl butyrateFL/FR
 benzyl propionateFL/FR
(E)-alpha-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
beta-damasconeFL/FR
 fig crotonateFR
 heliotropyl isobutyrateFL/FR
2-hexenyl cyclopentanyl acetateFR
 neryl propionateFL/FR
 prenyl acetateFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isoamyl formateFL/FR
herbal
 barosma betulina leaf oilFL/FR
 buchu mercaptan acetateFL/FR
(S)-campholene acetateFL/FR
 juniper carboxaldehydeFR
 methyl ortho-anisateFL/FR
minty
 diosphenolFL/FR
rummy
 rum extractFL/FR
spicy
black currant bud absoluteFL/FR
 myrtenalFL/FR
 spicy acetoacetateFL/FR
sulfurous
4-methoxy-2-methyl butane thiolFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
woody
 amber carbinolFR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 citronellyl isovalerateFL/FR
 diosphenolFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl ortho-anisateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
beta-damasconeFL/FR
berry
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
caramellic
 ethyl maltolFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
creamy
 acetyl butyrylFL/FR
floral
 heliotropyl acetateFL/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 oilFL/FR
 benzyl acetateFL/FR
 benzyl butyrateFL/FR
 benzyl propionateFL/FR
 buchu mercaptan acetateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(E)-alpha-damasconeFL/FR
 heliotropyl isobutyrateFL/FR
 prenyl acetateFL/FR
green
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
 cyclohexyl formateFL/FR
 gelsone (IFF)FL/FR
 neryl propionateFL/FR
herbal
 barosma betulina leaf oilFL/FR
jammy
(S)-campholene acetateFL/FR
minty
 myrtenalFL/FR
rummy
 rum extractFL/FR
sour
2-methyl-2-pentenoic acidFL/FR
spicy
black currant bud absoluteFL/FR
 spicy acetoacetateFL/FR
sulfurous
4-methoxy-2-methyl butane thiolFL/FR
vegetable
2-octen-4-oneFL/FR
delta-damasconeFL/FR
beta-ionyl acetateFL/FR
 
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Potential Uses:
 currantFR
 currant black currantFR
 currant bud absolute replacerFL/FR
 fruitFR
 jam 
 jasminFR
 raisinFR
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Occurrence (nature, food, other): note
 not found in nature
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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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