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
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. |
Reported in EPA TSCA Inventory.
Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
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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