ChemicalBook--->CAS DataBase List--->55066-56-3

55066-56-3

55066-56-3 Structure

55066-56-3 Structure
IdentificationMore
[Name]

ISOVALERIC ACID P-TOLYL ESTER
[CAS]

55066-56-3
[Synonyms]

FEMA 3387
ISOVALERIC ACID P-TOLYL ESTER
P-CRESOL ISOVALERATE
P CRESYL ISOVALERATE
P-TOLYL ISOVALERATE
3-methyl-butanoicaci4-methylphenylester
3-methylbutanoicacid4-methylphenylester
Butanoicacid,3-methyl-,4-methylphenylester
ISOVALERIC ACID P-TOLYL ESTER 96+%
Para-cresyl
PARA-TOLYL3-METHYLBUTYRATE
p-Tolylisovalerat
Para-cresyl isovalerate
[EINECS(EC#)]

259-465-5
[Molecular Formula]

C12H16O2
[MDL Number]

MFCD00036648
[Molecular Weight]

192.25
[MOL File]

55066-56-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

125 °C / 10mmHg
[density ]

0.98
[FEMA ]

3387
[refractive index ]

1.4840 to 1.4870
[Fp ]

99℃
[storage temp. ]

Store at room temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 0.10 % in dipropylene glycol. tobacco animal sweet herbal
[Odor Type]

tobacco
[JECFA Number]

702
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
[InChIKey]

MVDPTWHTUYDLTL-UHFFFAOYSA-N
[SMILES]

CC(C)CC(=O)Oc1ccc(C)cc1
[LogP]

3.43
[CAS DataBase Reference]

55066-56-3(CAS DataBase Reference)
[EPA Substance Registry System]

p-Cresyl isovalerate (55066-56-3)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

36/37
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid. Insoluble in water, soluble in alcohol and oils.
[Occurrence]

Naturally occurring in passion fruit, raspberry, rum, whiskey, coffee, tea and soybean.
[Uses]

P-Cresyl isovalerate is useful as a modifier for Civet, Skatole, Phenylacetic acid, etc. in Civet bases and other animal types bases.
[Uses]

P-Cresyl isovalerate is prepared from para-Cresol and iso- Valeric acid with Phosphoroxychloride.
[Definition]

ChEBI: 4-Methylphenyl 3-methylbutanoate is a member of phenols and a benzoate ester.
Spectrum DetailBack Directory
[Spectrum Detail]

ISOVALERIC ACID P-TOLYL ESTER(55066-56-3)MS
ISOVALERIC ACID P-TOLYL ESTER(55066-56-3)1HNMR
ISOVALERIC ACID P-TOLYL ESTER(55066-56-3)13CNMR
ISOVALERIC ACID P-TOLYL ESTER(55066-56-3)IR1
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

Isovaleric Acid p-Tolyl Ester,>96.0%(GC)(55066-56-3)
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