Product Name

  • Name

    FEMA 3765

  • EINECS
  • CAS No. 1079-01-2
  • Article Data10
  • CAS DataBase
  • Density 1.009g/cm3
  • Solubility
  • Melting Point
  • Formula C12H18 O2
  • Boiling Point 243.244°C at 760 mmHg
  • Molecular Weight 194.274
  • Flash Point 97.778°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. Slightly toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1079-01-2 (FEMA 3765)
  • Hazard Symbols
  • Synonyms 2-Pinen-10-ol,acetate (6CI,7CI,8CI); Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate,(1S)-; Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S,5R)-(9CI); (+)-Myrtenyl acetate; Myrtenyl acetate
  • PSA 26.30000
  • LogP 2.54190

Myrtenyl acetate Chemical Properties

Molecule structure of Myrtenyl acetate (CAS NO.1079-01-2) :

IUPAC Name: (7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl acetate 
Molecular Weight: 194.27012 g/mol
Molecular Formula: C12H18O2 
Density: 1.009 g/cm3 
Boiling Point: 243.2 °C at 760 mmHg 
Flash Point: 97.8 °C
Index of Refraction: 1.483
Molar Refractivity: 54.98 cm3
Molar Volume: 192.4 cm3
Polarizability: 21.79*10-24 cm3
Surface Tension: 30.7 dyne/cm 
Enthalpy of Vaporization: 48.03 kJ/mol
Vapour Pressure: 0.0325 mmHg at 25 °C
XLogP3-AA: 2.2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 194.13068
MonoIsotopic Mass: 194.13068
Topological Polar Surface Area: 26.3
Heavy Atom Count: 14 
Complexity: 289
Canonical SMILES: CC(=O)OCC1=CCC2CC1C2(C)C
InChI: InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3
InChIKey: BKATZVAUANSCKN-UHFFFAOYSA-N
EINECS of Myrtenyl acetate (CAS NO.1079-01-2) : 252-909-9

Myrtenyl acetate Toxicity Data With Reference

1.    

orl-rat LD50:2600 mg/kg

     FCTOD7    Food and Chemical Toxicology. 26 (1988),389.
2.    

skn-rbt LDLo:5 g/kg

     FCTOD7    Food and Chemical Toxicology. 26 (1988),389.

Myrtenyl acetate Consensus Reports

Reported in EPA TSCA Inventory.

Myrtenyl acetate Safety Profile

Moderately toxic by ingestion. Slightly toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
WGK Germany: 2
RTECS: DT6500000

Myrtenyl acetate Specification

 Myrtenyl acetate (CAS NO.1079-01-2) is also called (1S)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol acetate ; 2-Pinen-10-ol, acetate ; 2-Pinen-10-yl acetate ; Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S)- ; FEMA No. 3765 ; (1S)-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate ; 2-Pinen-10-ol, acetate (6CI,7CI,8CI) ; Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,5R)- ; Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S,5R)- .

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