ChemicalBook--->CAS DataBase List--->103-60-6

103-60-6

103-60-6 Structure

103-60-6 Structure
IdentificationMore
[Name]

Phenoxyethyl isobutyrate
[CAS]

103-60-6
[Synonyms]

2-PHENOXYETHYL-2-METHYLPROPANOATE
2-PHENOXYETHYL ISOBUTYRATE
ethylene glycol monophenylether isobutyrate
FEMA 2873
ISOBUTYRATE, 2-PHENOXYETHYL
PHENOXYETHYL ISOBUTYRATE
PHENOXYETHYL ISOBUTYRATE BETA
2-methyl-propanoicaci2-phenoxyethylester
beta-Phenoxyethyl iso-butyrate
Isobutyric acid, 2-phenoxyethyl ester
isobutyricacid,2-phenoxyethylester
Propanoic acid, 2-methyl-, 2-phenoxyethyl ester
Propanoicacid,2-methyl-,2-phenoxyethylester
2-PHENOXYETHYL ISOBUTYRATE 97+% FCC
2-Phenoxyethylisobutyrat
PHENOXYETHYLISOBUTYRAT
2-methyl-propanoic acid 2-phenoxyethyl ester
[EINECS(EC#)]

203-127-1
[Molecular Formula]

C12H16O3
[MDL Number]

MFCD00027363
[Molecular Weight]

208.25
[MOL File]

103-60-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

125-127 °C4 mm Hg(lit.)
[density ]

1.044 g/mL at 25 °C(lit.)
[vapor pressure ]

0.77Pa at 25℃
[FEMA ]

2873
[refractive index ]

n20/D 1.493(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless liquid
[Odor]

honey, roselike odor
[Odor Type]

green
[Water Solubility ]

196mg/L at 20℃
[JECFA Number]

1028
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
[InChIKey]

MJTPMXWJHPOWGH-UHFFFAOYSA-N
[SMILES]

O(CCOC(=O)C(C)C)c1ccccc1
[LogP]

3.2 at 24℃
[CAS DataBase Reference]

103-60-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Phenoxyethyl isobutyrate(103-60-6)
[EPA Substance Registry System]

103-60-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H411
[Precautionary statements ]

P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
[WGK Germany ]

1
[RTECS ]

UA2470910
[TSCA ]

TSCA listed
[HS Code ]

2918.99.4700
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Safety Profile]

Low toxicity by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes
[Toxicity]

LD50 orl-rat: >5 g/kg FCTXAV 12,955,74
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isobutyric acid-->2-Phenoxyethanol
Hazard InformationBack Directory
[Chemical Properties]

2-Phenoxyethyl isobutyrate has a rose-like and honey odor and a sweet, fruity (peach-like) taste.
[Chemical Properties]

It is a colorless liquid with a sweet, floral, fruity odor.
The ester is prepared by esterification of 2-phenoxyethanol with isobutyric acid and is used as a fixative in perfumes (rose and lavender types) as well as for fruity notes.
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

2-Phenoxyethyl isobutyrate is a member of the fragrance structural group Aryl Alkyl Alcohol Simple Acid Esters
[Definition]

ChEBI: 2-Phenoxyethyl isobutyrate is an aromatic ether.
[Preparation]

From the corresponding phenoxyethyl alcohol and isobutyric acid in the presence of boric acid in benzene solution.
[Taste threshold values]

Taste characteristics at 50 ppm: green and fruity with waxy, apple nuances.
[Flammability and Explosibility]

Nonflammable
[Trade name]

Phenirat (Symrise)
[Biological Activity]

Phenoxyethyl isobutyrate is an antagonist of olfactory receptor OR2AT4a G-protein-coupled receptor (GPCR) also expressed in human primary keratinocytes.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

103-60-6(sigmaaldrich)
[TCI AMERICA]

2-Phenoxyethyl Isobutyrate,>98.0%(GC)(103-60-6)
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