CAS 80-26-2|α-Terpinyl acetate
| 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 | ChineseUSA | Flash Point | 83.0±17.1 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | Terpinyl Acetate |
|---|---|
| Synonym | More Synonyms |
α-Terpinyl acetate BiologicalActivity
| 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 | Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Metabolic Disease |
| 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 | [1]. Fidan H, et al. Chemical Composition and Antimicrobial Activity of Laurus nobilis L. Essential Oils from Bulgaria. Molecules. 2019 Feb 22;24(4). [2]. Lee Y, et al. Inhibitory effect of α-terpinyl acetate on cytochrome P450 2B6 enzymatic activity. Chem Biol Interact. 2018 Jun 1;289:90-97. |
Chemical & Physical Properties
| 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 |
| InChIKey | IGODOXYLBBXFDW-UHFFFAOYSA-N |
| SMILES | CC(=O)OC(C)(C)C1CC=C(C)CC1 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5075 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity)
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 58(10),27,1993
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- >1 gm/m3
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 58(10),27,1993 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 130 mg/m3/4H/17W-I
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 58(10),27,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2063 No. of Facilities: 4671 (estimated) No. of Industries: 24 No. of Occupations: 23 No. of Employees: 44114 (estimated) No. of Female Employees: 28016 (estimated)
Safety Information
| 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 |
Customs
| 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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Synonyms
| MFCD00037155 |
| a-terpinyl acetate, (±) |
| (±)-α-Terpineol acetate |
| EINECS 201-265-7 |
| 2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate |
| 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 |
