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Benzylisopropyl propionate

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Name

Benzylisopropyl propionate

EINECS 267-072-5
CAS No. 67785-77-7 Density 0.99 g/cm3
PSA 26.30000 LogP 2.96090
Solubility N/A Melting Point N/A
Formula C13H18O2 Boiling Point 276.3 °C at 760 mmHg
Molecular Weight 206.31 Flash Point 104.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 67785-77-7 (Dimethyl benzyl carbinyl propionate) Hazard Symbols N/A
Synonyms

Alpha,alpha-dimethyl-phenethylalcohopropionate;Benzeneethanol,.alpha.,.alpha.-dimethyl-,propanoate;Benzylisopropylpropionate;

 

Benzylisopropyl propionate Chemical Properties

Product Name: Dimethyl benzyl carbinyl propionate (CAS NO.67785-77-7)


Molecular Formula: C13H18O2
Molecular Weight: 206.28g/mol
Mol File: 67785-77-7.mol
Einecs: 267-072-5
Boiling point: 276.3 °C at 760 mmHg
Flash Point: 104.2 °C
Density: 0.99 g/cm3
Surface Tension: 33.8 dyne/cm
Enthalpy of Vaporization: 51.48 kJ/mol
Vapour Pressure: 0.00484 mmHg at 25°C
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Dimethyl benzyl carbinyl propionate (CAS NO.67785-77-7):
  IUPAC Name: (2-methyl-1-phenylpropan-2-yl) propanoate
  Canonical SMILES: CCC(=O)OC(C)(C)CC1=CC=CC=C1
  InChI: InChI=1S/C13H18O2/c1-4-12(14)15-13(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3 
  InChIKey: BLKIYRRGHOQSPP-UHFFFAOYSA-N

Benzylisopropyl propionate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 669, 1980.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 669, 1980.

Benzylisopropyl propionate Consensus Reports

Reported in EPA TSCA Inventory.

Benzylisopropyl propionate Safety Profile

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

Benzylisopropyl propionate Specification

 Dimethyl benzyl carbinyl propionate ,its CAS NO. is 67785-77-7,the synonyms is  Alpha,alpha-dimethyl-phenethylalcohopropionate ; Benzeneethanol,.alpha.,.alpha.-dimethyl-,propanoate ; Benzylisopropylpropionate ; Dimethyl benzyl carbinyl propionate ; Alpha, alpha-dimethyl phenethyl propionate ; α,α-Dimethylphenethyl propionate ; Alpha,alpha-dimethylphenethylpropionat .

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