Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Phenoxyethyl isobutyrate

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Phenoxyethyl isobutyrate

EINECS 203-127-1
CAS No. 103-60-6 Density 1.042 g/cm3
PSA 35.53000 LogP 2.26460
Solubility 196mg/L at 20℃ Melting Point N/A
Formula C12H16O3 Boiling Point 273.762 °C at 760 mmHg
Molecular Weight 208.257 Flash Point 109.495 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 103-60-6 (Phenoxyethyl isobutyrate) Hazard Symbols N/A
Synonyms

Isobutyricacid, 2-phenoxyethyl ester (6CI,8CI);Ethanol, 2-phenoxy-, isobutyrate (8CI);2-Phenoxyethyl 2-methylpropanoate;2-Phenoxyethyl isobutyrate;NSC 227210;NSC406209;b-Phenoxyethyl isobutyrate;

 

Phenoxyethyl isobutyrate Consensus Reports

Reported in EPA TSCA Inventory.

Phenoxyethyl isobutyrate Specification

The Phenoxyethyl isobutyrate, with the CAS registry number 103-60-6, is also known as Propanoic acid, 2-methyl-, 2-phenoxyethyl ester. Its EINECS registry number is 203-127-1. This chemical's molecular formula is C12H16O3 and molecular weight is 208.25. What's more, both its IUPAC name and systematic name are the same which is called 2-Phenoxyethyl 2-methylpropanoate. Phenoxyethyl isobutyrate is formed by phenoxy ethanol and iso-butyric acid in the presence of boric acid esterification in benzene solution. This chemical is used as Spices and mainly used for the preparation of honey, peaches and fruit flavor ice cream.

Physical properties about Phenoxyethyl isobutyrate are: (1)ACD/LogP: 2.615; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.22; (6)ACD/BCF (pH 7.4): 57.22; (7)ACD/KOC (pH 5.5): 630.46; (8)ACD/KOC (pH 7.4): 630.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 57.829 cm3; (15)Molar Volume: 199.828 cm3; (16) Polarizability: 22.925×10-24cm3; (17)Surface Tension: 34.70 dyne/cm; (18)Density: 1.042 g/cm3; (19)Flash Point: 109.495 °C; (20)Enthalpy of Vaporization: 51.212 kJ/mol; (21)Boiling Point: 273.762 °C at 760 mmHg; (22)Vapour Pressure: 0.0060 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCOc1ccccc1)C(C)C
(2) InChI: 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
(3) InChIKey: MJTPMXWJHPOWGH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 955, 1974.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 955, 1974.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 103-60-6