α-Terpinyl acetate structure
|
Common Name | α-Terpinyl acetate | ||
|---|---|---|---|---|
| CAS Number | 80-26-2 | Molecular Weight | 196.286 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 239.9±9.0 °C at 760 mmHg | |
| Molecular Formula | C12H20O2 | Melting Point | 220 °C | |
| MSDS | Chinese USA | Flash Point | 83.0±17.1 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of α-Terpinyl acetateα-Terpinyl acetate is a monoterpene ester isolated from Laurus nobilis L. essential oil. α-Terpinyl acetate is a competitive P450 2B6 substrate which binding to the active site of P450 2B6 with a Kd value of 5.4 μM[1][2]. |
| Name | Terpinyl Acetate |
|---|---|
| Synonym | More Synonyms |
| Description | α-Terpinyl acetate is a monoterpene ester isolated from Laurus nobilis L. essential oil. α-Terpinyl acetate is a competitive P450 2B6 substrate which binding to the active site of P450 2B6 with a Kd value of 5.4 μM[1][2]. |
|---|---|
| Related Catalog | |
| Target |
CYP2B6:5.4 μM (Kd) |
| In Vitro | The bupropion hydroxylation activity of P450 2B6 is inhibited by α-Terpinyl acetate wiht an IC50 value of 10.4 μM and α-Terpinyl acetate is determined to be a competitive inhibitor of P450 2B6 with a Ki of 7.6 μM[2]. |
| References |
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 239.9±9.0 °C at 760 mmHg |
| Melting Point | 220 °C |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.286 |
| Flash Point | 83.0±17.1 °C |
| Exact Mass | 196.146332 |
| PSA | 26.30000 |
| LogP | 3.67 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.467 |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Phrases | R36/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | OT0200000 |
| HS Code | 2915390090 |
| HS Code | 2915390090 |
|---|---|
| Summary | 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0% |
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| MFCD00037155 |
| a-terpinyl acetate, (±) |
| (±)-α-Terpineol acetate |
| EINECS 201-265-7 |
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| 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl acetate |
| p-Menth-1-en-8-ol acetate |
| 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, acetate |
| (±)-2-(4-Methyl-3-cyclohexen-1-yl)-2-propanylacetat |
| 1-Methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate |
| L6UTJ A1 DX1&1&OV1 |
| Terpinyl acetate |
| (±)-a-Terpinyl acetate |
| p-Menth-1-en-8-ol, acetate |