ChemicalBook Product Catalog Flavors and fragrances Synthetic fragrances Carboxylic acids and esters Aliphatic dicarboxylic acid esters Phenoxyethyl isobutyrate

Phenoxyethyl isobutyrate

Product NamePhenoxyethyl isobutyrate
CAS103-60-6
MFC12H16O3
MW208.25
EINECS203-127-1
MOL File103-60-6.mol

Chemical Properties

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 \| 2-PHENOXYETHYL ISOBUTYRATE
refractive index	n20/D 1.493(lit.)
Flash point	>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	Phenoxyethyl isobutyrate (103-60-6)

Safety Information

WGK Germany	1
RTECS	UA2470910
TSCA	TSCA listed
HS Code	2918.99.4700
Storage Class	10 - Combustible liquids
Toxicity	LD50 orl-rat: >5 g/kg FCTXAV 12,955,74

MSDS

Provider	Language
SigmaAldrich	English

Usage And Synthesis

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.

Chemical Properties

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

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

Non flammable

Trade name

Phenirat (Symrise)

Biological Activity

Phenoxyethyl isobutyrate is an antagonist of olfactory receptor OR2AT4, a G-protein-coupled receptor (GPCR) also expressed in human primary keratinocytes.

Safety Profile

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

Phenoxyethyl isobutyrate

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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