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53744-50-6

Basic Information
CAS No.: 53744-50-6
Name: [4-(1-hydroxyethyl)phenyl] acetate
Article Data: 14
Molecular Structure:
Molecular Structure of 53744-50-6 ([4-(1-hydroxyethyl)phenyl] acetate)
Formula: C10H12 O3
Molecular Weight: 180.203
Synonyms: Benzylalcohol, p-hydroxy-a-methyl-, 4-acetate (6CI); (p-Acetoxyphenyl)methyl carbinol;4-Acetoxyphenylmethylcarbinol
Density: 1.139g/cm3
Boiling Point: 290.4°Cat760mmHg
Flash Point: 122.4°C
Hazard Symbols: Toxic by ingestion. A severe skin irritant.
Safety: Moderately toxic by ingestion. Low toxicity by skin contact. A severe skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 46.53000
LogP: 1.66520
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Chemistry

Product Name: 4-Acetoxyphenyl methyl carbinol (CAS NO.53744-50-6)


Molecular Formula: C10H12O3
Molecular Weight: 180.22g/mol
Mol File: 53744-50-6.mol
Boiling point: .4 °C at 760 mmHg
Flash Point: 122.4 °C
Density: 1.139 g/cm3
Surface Tension: 41.2 dyne/cm
Enthalpy of Vaporization: 55.95 kJ/mol
Vapour Pressure: 0.000957 mmHg at 25°C
XLogP3-AA: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 4-Acetoxyphenyl methyl carbinol (CAS NO.53744-50-6):
  IUPAC Name: [4-(1-Hydroxyethyl)phenyl] acetate
  Canonical SMILES: CC(C1=CC=C(C=C1)OC(=O)C)O
  InChI: InChI=1S/C10H12O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-7,11H,1-2H3 
  InChIKey: VZOVSXXHXIMTQX-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 µL SEV

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0536931 .
2.    

orl-rat LDLo:500 mg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0536931 .
3.    

skn-rbt LD :>7800 mg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0536931 .

Safety Profile

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

Specification

 4-Acetoxyphenyl methyl carbinol , its CAS NO. is 53744-50-6, the synonyms are (p-Acetoxyphenyl)methyl carbinol ; 1-(4-(Acetyloxy)phenyl)ethanol ; 4-(Acetyloxy)-alpha-methylbenzenemethanol ; Benzyl alcohol, p-hydroxy-alpha-methyl-, 4-acetate (6CI) ; C-909 ; Benzenemethanol, 4-(acetyloxy)-alpha-methyl- .