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64011-53-6

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Basic Information
CAS No.: 64011-53-6
Name: 1-(cyclohex-3-en-1-yl)ethane-1,2-diol
Article Data: 2
Molecular Structure:
Molecular Structure of 64011-53-6 (1-(cyclohex-3-en-1-yl)ethane-1,2-diol)
Formula: C8H14 O2
Molecular Weight: 142.22
Density: 1.09g/cm3
Boiling Point: 264.7°C at 760 mmHg
Flash Point: 126.6°C
Safety: Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
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Chemistry

Molecular Structure of 4,4-Bis(hydroxymethyl)-1-cyclohexene (CAS NO. 64011-53-6):

IUPAC Name:  1-cyclohex-3-en-1-ylethane-1,2-diol
Empirical Formula:  C8H14O2 
Molecular Weight:  142.1956 
Surface Tension:  45.3 dyne/cm 
Density:  1.09 g/cm3 
Flash Point:  126.6 °C 
Enthalpy of Vaporization:  58.37 kJ/mol 
Boiling Point:  264.7 °C at 760 mmHg 
Vapour Pressure:  0.00133 mmHg at 25°C 
Index of Refraction:  1.519  
InChI
InChI=1/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h1-2,7-10H,3-6H2
Smiles
C1=CCC[C@@H](C1)[C@@H](O)CO
Classification Code:  Skin / Eye Irritant

Toxicity Data With Reference

1.    

skn-rbt 100 mg/24H MOD

     85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,214.
2.    

eye-rbt 2 mg/24H SEV

     85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,214.
3.    

orl-rat LD50:1070 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 28 (1974),313.
4.    

skn-rbt LD50:>5 g/kg

     TXAPA9    Toxicology and Applied Pharmacology. 28 (1974),313.

Safety Profile

Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 4,4-Bis(hydroxymethyl)-1-cyclohexene ,its CAS number is 64011-53-6,it can be called 4,4-Dihydroxymethyl-1-cyclohexene ; 3-Cyclohexene-1-methanol, alpha-hydroxymethyl- ; 1,2-ethanediol, 1-(3-cyclohexen-1-yl)- ; 1-(Cyclohex-3-en-1-yl)ethane-1,2-diol ; 64011-53-6 [RN] .