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VERNALDEHYDE

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VERNALDEHYDE

EINECS 266-314-7
CAS No. 66327-54-6 Density 0.918 g/cm3
PSA 17.07000 LogP 4.12820
Solubility soluble in alcohol:water, 54 mg/L @ 20C.insoluble in water Melting Point N/A
Formula C14H24 O Boiling Point 276.9 °C at 760 mmHg
Molecular Weight 208.344 Flash Point 97.4 °C
Transport Information N/A Appearance Colorless to pale yellow oily liquid
Safety Low toxicity by ingestion and skin contact. A skin irritant. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes N/A
Molecular Structure Molecular Structure of 66327-54-6 (VERNALDEHYDE) Hazard Symbols IrritantXi
Synonyms

1-Methyl-4-(4-methylpentyl)-3-cyclohexenecarbaldehyde

 

VERNALDEHYDE Chemical Properties

Product Name: Vernaldehyde (CAS NO.66327-54-6)


Molecular Formula: C14H24O
Molecular Weight: 208.34g/mol
Mol File: 66327-54-6.mol
Einecs: 266-314-7
Boiling point: 276.9 °C at 760 mmHg
Flash Point: 97.4 °C
Density: 0.918 g/cm3
Surface Tension: 34.2 dyne/cm
Enthalpy of Vaporization: 51.54 kJ/mol
Vapour Pressure: 0.00467 mmHg at 25°C
XLogP3-AA: 3.8
H-Bond Donor: 0
H-Bond Acceptor: 1
Rotatable Bond Count: 5
Topological Polar Surface Area: 17.1
Heavy Atom Count: 15
Complexity: 240
Undefined Atom StereoCenter Count: 1
Covalently-Bonded Unit Count: 1

VERNALDEHYDE Toxicity Data With Reference

1.    

skn-rbt 500 mg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),37S.
2.    

orl-rat LDLo:5 g/kg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),37S.
3.    

skn-rbt LD50:>5 g/kg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),37S.

VERNALDEHYDE Consensus Reports

Reported in EPA TSCA Inventory.

VERNALDEHYDE Safety Profile

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

VERNALDEHYDE Specification

 Vernaldehyde ,its CAS NO. is 66327-54-6,the synonyms is 1-Formyl-1-methyl-4-(4-methylpentyl)-3-cyclohexene ; 1-Methyl-4-(4-methylpentyl)-3-cyclohexene-1-carboxaldehyd ; 1-Methyl-4-(4-methylpentyl)-3-cyclohexene-1-carboxaldehyde ; 3-Cyclohexene-1-carboxaldehyde,1-methyl-4-(4-methylpentenyl)- ; 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde ; 1-Formyl-1-methyl-4(4-methyl-3-penten-1-yl)-3-cyclohexene ; 1-Methyl-4-(4-methylpentyl)cyclohex-3-en-1-carbaldehyd .

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