CAS Number80-26-2
SynonymsMFCD00037155; 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
Molecular FormulaC12H20O2
Molecular Weight196.29
Purity95.00%
Density1.0±0.1 g/cm3
Boiling Point220 °C (lit.)
Melting Point220 °C
Appearanceclear liquid
EINECS201-265-7
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 80-26-2 |
| Catalog No. | 2A-9012651 |
| Chinese Name | 乙酸松油酯 |
| 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 |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.29 |
| Purity | 95.00 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 220 °C (lit.) |
| Melting Point | 220 °C |
| Appearance | clear liquid |
| Storage Condition | Packed in galvanized iron drum. Store in a cool an |
| Application | α-Terpinyl acetate is a monoterpene ester isolated from the essential oil of Laurus nobilis L. α-Terpinyl acetate is a competitive P450 2B6 substrate, binding to its active site with a Kd of 5.4 μM. |
| EINECS | 201-265-7 |
| HTC | 2915390090 |
| PubChem ID | 329830558 |
| MDL Number | MFCD00037155 |
| SMILES | CC(=O)OC(C)(C)C1CCC(C)=CC1 |
| InChI | 1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3 |
| InChI Key | IGODOXYLBBXFDW-UHFFFAOYSA-N |
| Beilstein/REAXYS | 3198769 |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| Hazard Symbols | Transport |
| MSDS | msds/12651_1_80_26_2.pdf |
| Bioactivity | 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 P450 Research 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 |
| Use of | 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]. Properties Name Terpinyl Acetate Synonym More Synonyms α-Terpinyl acetate Biological Activity 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 P450 Research Areas >> Metabolic Disease 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 Molecular Formula C12H20O2 Exact Mass 196.146332 PSA 26.30000 Index of Refraction 1.467 InChIKey IGODOXYLBBXFDW-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Imported food hygiene supervision and inspection S. Export food hygiene supervision and inspection M. Imported commodity inspection N. Exported commodity inspection |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 United Nations number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special precautions No data available |
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