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8007-35-0

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Basic Information
CAS No.: 8007-35-0
Name: TERPINYL ACETATE
Molecular Structure:
Molecular Structure of 8007-35-0 (TERPINYL ACETATE)
Formula: C12H20O2
Molecular Weight: 196.286
Synonyms: Terpinylacetate (8CI)
EINECS: 232-357-5
Density: 0.962 g/mL at 25 °C(lit.)
Boiling Point: 239.9 °C at 760 mmHg
Flash Point: 83 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/38
Safety: 26-36
PSA: 26.30000
LogP: 3.07450
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Chemistry

Molecule structure of Terpineol, acetate (CAS NO.8007-35-0):

IUPAC Name: 2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl acetate 
Molecular Weight: 196.286 g/mol
Molecular Formula: C12H20O2 
Density: 0.962 g/cm3 
Boiling Point: 239.9 °C at 760 mmHg 
Flash Point: 83 °C
Index of Refraction: 1.466
Molar Refractivity: 56.58 cm3
Molar Volume: 203.9 cm3
Polarizability: 22.43×10-24 cm3
Surface Tension: 31.8 dyne/cm 
Enthalpy of Vaporization: 47.68 kJ/mol
Vapour Pressure: 0.0392 mmHg at 25 °C
XLogP3-AA: 2.4
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 196.14633
MonoIsotopic Mass: 196.14633
Topological Polar Surface Area: 26.3
Heavy Atom Count: 14
Complexity: 251
Canonical SMILES: CC1=CCC(CC1)C(C)(C)OC(=O)C
InChI: InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
InChIKey: IGODOXYLBBXFDW-UHFFFAOYSA-N
EINECS of Terpineol, acetate (CAS NO.8007-35-0): 232-357-5

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/38 
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS: OT0200000

Specification

 Terpineol, acetate (CAS NO.8007-35-0) is also named as Terpineol acetate ; Terpinyl acetate .