Phenylacetic acid isobutyl ester

Chemical Properties

Boiling point	253 °C(lit.)
Density	0.986 g/mL at 25 °C(lit.)
vapor pressure	2-3.4Pa at 20-25℃
FEMA	2210 \| ISOBUTYL PHENYLACETATE
refractive index	n20/D 1.487(lit.)
Flash point	>230 °F
form	Liquid
Specific Gravity	0.985～0.991 (20/4℃)
color	Colorless to Light yellow
Odor	at 100.00 %. sweet floral honey chocolate amber
Odor Type	chocolate
biological source	synthetic
JECFA Number	1013
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey	RJASFPFZACBKBE-UHFFFAOYSA-N
SMILES	CC(C)COC(=O)Cc1ccccc1
LogP	3.5 at 35℃ and pH7
CAS DataBase Reference	102-13-6(CAS DataBase Reference)
NIST Chemistry Reference	Iso-butyl-phenyl-acetate(102-13-6)
EPA Substance Registry System	Benzeneacetic acid, 2-methylpropyl ester (102-13-6)

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
WGK Germany	2
RTECS	CY1681950
TSCA	TSCA listed
HS Code	29163990
Storage Class	10 - Combustible liquids
Toxicity	Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg.

Provider	Language
SigmaAldrich	English
ALFA	English