CAS No.67785-77-7,Dimethyl benzyl carbinyl propionate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67785-77-7
Name:	Dimethyl benzyl carbinyl propionate

Formula:	C₁₃H₁₈O₂
Molecular Weight:	206.31
Synonyms:	Alpha,alpha-dimethyl-phenethylalcohopropionate;Benzeneethanol,.alpha.,.alpha.-dimethyl-,propanoate;Benzylisopropylpropionate;
EINECS:	267-072-5
Density:	0.99 g/cm³
Boiling Point:	276.3 °C at 760 mmHg
Flash Point:	104.2 °C
PSA:	26.30000
LogP:	2.96090

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Chemistry

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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

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 .