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2142-94-1

Basic Information
CAS No.: 2142-94-1
Name: NERYL FORMATE
Article Data: 5
Molecular Structure:
Molecular Structure of 2142-94-1 (NERYL FORMATE)
Formula: C11H18 O2
Molecular Weight: 182.263
Synonyms: 2,6-Octadien-1-ol,3,7-dimethyl-, formate, (2Z)- (9CI);2,6-Octadien-1-ol, 3,7-dimethyl-, formate,(Z)- (8CI);Nerol, formate (6CI);(Z)-3,7-Dimethyl-2,6-octadienyl formate;3,7-Dimethyl-cis-2,6-octadienyl formate;Neryl formate;
EINECS: 218-401-6
Density: 0.948g/cm3
Boiling Point: 280°C at 760 mmHg
Flash Point: 117.3°C
Safety: Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS and FORMIC ACID.
PSA: 26.30000
LogP: 3.48800
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Chemistry

IUPAC Name: [(2Z)-3,7-Dimethylocta-2,7-dienyl] formate
Synonyms of Formic acid, neryl ester (CAS NO.2142-94-1) : 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (Z)- ; 3,7-Dimethyl-2,6-octadien-1-yl formate, cis- ; Neryl 2-methylpropanoate ; Neryl methanoate ; 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (2Z)-
InChI:InChI=1/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
CAS NO:2142-94-1
Molecular Formula:C11H18O2
Molecular Weight :182.2594
Molecular Structure :
EINECS: 218-401-6
Index of Refraction: 1.458
Surface Tension: 28.8 dyne/cm
Density: 0.908 g/cm3
Flash Point: 109.1 °C
Enthalpy of Vaporization: 49.4 kJ/mol
Boiling Point: 256.5 °C at 760 mmHg
Vapour Pressure: 0.0154 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 627, 1976.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 627, 1976.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. A skin irritant. When Formic acid, neryl ester (CAS NO.2142-94-1) is heated to decomposition, it emits acrid smoke and irritating fumes. See also ESTERS and FORMIC ACID.