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Basic Information
CAS No.: 59230-57-8
Name: CUMINYL ACETATE
Article Data: 18
Molecular Structure:
Molecular Structure of 59230-57-8 (CUMINYL ACETATE)
Formula: C12H16 O2
Molecular Weight: 192.258
Synonyms: Benzenemethanol,4-(1-methylethyl)-, acetate (9CI); 4-Isopropylbenzyl acetate; Cuminyl acetate;p-Cymen-7-ol acetate
Density: 0.999g/cm3
Boiling Point: 253.8°C at 760 mmHg
Flash Point: 98.8°C
Safety: Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 26.30000
LogP: 2.87310
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Chemistry

Product Name: 4-Isopropylbenzyl acetate (CAS NO.59230-57-8)


Molecular Formula: C12H16O2
Molecular Weight: 192.25g/mol
Mol File: 59230-57-8.mol
EINECS: 261-671-5
Boiling point: 253.8 °C at 760 mmHg
Flash Point: 98.8 °C
Density: 0.999 g/cm3
Surface Tension: 33.7 dyne/cm
Enthalpy of Vaporization: 49.12 kJ/mol
Vapour Pressure: 0.0179 mmHg at 25°C
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Isopropylbenzyl acetate (CAS NO.59230-57-8):
  IUPAC Name: (4-Propan-2-ylphenyl)methyl acetate
  Canonical SMILES: CC(C)C1=CC=C(C=C1)COC(=O)C
  InChI: InChI=1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3
  InChIKey: QBCRVYRADYXNOW-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 57S, 1992.
rat LD50 oral 1450mg/kg (1450mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 57S, 1992.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 4-Isopropylbenzyl acetate , its CAS NO. is 59230-57-8, the synonyms are  3-06-00-01912 (Beilstein Handbook Reference) ; 4-(1-Methylethyl)benzenemethanol acetate ;  BRN 1950785 ; Benzenemethanol, 4-(1-methylethyl)-, acetate ; Cuminyl acetate ; EINECS 261-671-5 ; p-Isopropylbenzyl acetate ; Benzenemethanol, 4-(1-methylethyl)-, 1-acetate ; Benzenemethanol, 4-(1-methylethyl)-, acetate .