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63141-79-7

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Basic Information
CAS No.: 63141-79-7
Name: 4-(1-Ethynyl-3-methyl-2-butenyl)phenol
Molecular Structure:
Molecular Structure of 63141-79-7 (4-(1-Ethynyl-3-methyl-2-butenyl)phenol)
Formula: C13H13O
Molecular Weight: 185.26
Synonyms: Dimethylvinylethinyl-p-hydroxyphenylmethane;
Density: 1.028g/cm3
Boiling Point: 283.2°Cat760mmHg
Flash Point: 125.9°C
Safety: Poison by inhalation. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 20.23000
LogP: 3.07520
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Chemistry

Empirical Formula of Dimethylvinylethinyl-p-hydroxyphenylmethane (CAS NO.63141-79-7): C13H14O
Molecular Weight: 186.2497 g/mol
Index of Refraction: 1.56
Density: 1.028 g/cm3
Flash Point: 125.9 °C
Enthalpy of Vaporization: 54.31 kJ/mol
Boiling Point: 283.2 °C at 760 mmHg
Vapour Pressure: 0.00187 mmHg at 25 °C
Structure of Dimethylvinylethinyl-p-hydroxyphenylmethane (CAS NO.63141-79-7):
                              
IUPAC Name: 4-(5-Methylhex-4-en-1-yn-3-yl)phenol
Canonical SMILES: CC(=CC(C#C)C1=CC=C(C=C1)O)C
InChI: InChI=1S/C13H14O/c1-4-11(9-10(2)3)12-5-7-13(14)8-6-12/h1,5-9,11,14H,2-3H3
InChIKey: JOMYANSJBFOTPO-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ihl-mus LC50:220 mg/m3

     GISAAA    Gigiena i Sanitariya. 41 (1)(1976),95.

Safety Profile

Poison by inhalation. Experimental reproductive effects. When heated to decomposition Dimethylvinylethinyl-p-hydroxyphenylmethane (CAS NO.63141-79-7) emits acrid smoke and irritating fumes.

Specification

 Dimethylvinylethinyl-p-hydroxyphenylmethane , its cas register number is 63141-79-7. It also can be called p-Cresol, alpha-(2,2-dimethylvinyl)-alpha-ethynyl- ; and alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol .