3-Cyclohexene-1-methanol,a,a,4-trimethyl-, 1-acetate (80-26-2)

The Terpinyl acetate , with cas registry number of 80-26-2, has other registry numbers including 104806-93-1, 10581-37-0, 21090-64-2. Its IUPAC name is called 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate . And its systematic name is also called 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate . The superlist names about this chemical are Terpinyl acetate ; alpha-Terpineol acetate ; p-Menth-1-en-8-ol, acetate .

Physical properties of Terpinyl acetate are: (1) ACD/LogP: 3.67 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.67 ; (4) ACD/LogD (pH 7.4): 3.67 ; (5) ACD/BCF (pH 5.5): 362.71 ; (6) ACD/BCF (pH 7.4): 362.71 ; (7) ACD/KOC (pH 5.5): 2364.5 ; (8) ACD/KOC (pH 7.4): 2364.5 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 3 ; (12) Index of Refraction: 1.466 ; (13) Molar Refractivity: 56.58 cm³ ; (14) Molar Volume: 203.9 cm³ ; (15) Surface Tension: 31.8 dyne/cm ; (16) Density: 0.962 g/cm³ ; (17) Flash Point: 83 °C ; (18) Enthalpy of Vaporization: 47.68 kJ/mol ; (19) Boiling Point: 239.9 °C at 760 mmHg ; (20) Vapour Pressure: 0.0392 mmHg at 25°C ; (21) Refractive index: n20/D 1.465(lit.).

Uses of Terpinyl acetate : this chemical is a synthetic perfume used for essence of lavender,bergamot and Orange. It is also used for indoor aromatizer and deodorizer and used as substitute of linalyl acetate.

When you are using this chemical, please be cautious about it as the following:
The Terpinyl acetate is mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. It is irritating to eyes and skin. So, when use it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(OC(C)(C)C1C/C=C(\CC1)C)C;
(2) InChI:InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3;
(3) InChIKey:IGODOXYLBBXFDW-UHFFFAOYAB

The toxicity data is as follows:

The Terpinyl acetate , with cas registry number of 80-26-2, has other registry numbers including 104806-93-1, 10581-37-0, 21090-64-2. Its IUPAC name is called 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate . And its systematic name is also called 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate . The superlist names about this chemical are Terpinyl acetate ; alpha-Terpineol acetate ; p-Menth-1-en-8-ol, acetate .

Physical properties of Terpinyl acetate are: (1) ACD/LogP: 3.67 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.67 ; (4) ACD/LogD (pH 7.4): 3.67 ; (5) ACD/BCF (pH 5.5): 362.71 ; (6) ACD/BCF (pH 7.4): 362.71 ; (7) ACD/KOC (pH 5.5): 2364.5 ; (8) ACD/KOC (pH 7.4): 2364.5 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 3 ; (12) Index of Refraction: 1.466 ; (13) Molar Refractivity: 56.58 cm³ ; (14) Molar Volume: 203.9 cm³ ; (15) Surface Tension: 31.8 dyne/cm ; (16) Density: 0.962 g/cm³ ; (17) Flash Point: 83 °C ; (18) Enthalpy of Vaporization: 47.68 kJ/mol ; (19) Boiling Point: 239.9 °C at 760 mmHg ; (20) Vapour Pressure: 0.0392 mmHg at 25°C ; (21) Refractive index: n20/D 1.465(lit.).

Uses of Terpinyl acetate : this chemical is a synthetic perfume used for essence of lavender,bergamot and Orange. It is also used for indoor aromatizer and deodorizer and used as substitute of linalyl acetate.

When you are using this chemical, please be cautious about it as the following:
The Terpinyl acetate is mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. It is irritating to eyes and skin. So, when use it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(OC(C)(C)C1C/C=C(\CC1)C)C;
(2) InChI:InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3;
(3) InChIKey:IGODOXYLBBXFDW-UHFFFAOYAB

The toxicity data is as follows: