α-​Terpinyl acetate

Modify Date: 2024-01-03 08:40:50

α-​Terpinyl acetate Structure
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
GHS07
Signal Word Warning

 Use of α-​Terpinyl acetate


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].

 Names

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
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

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OT0200000
CHEMICAL NAME :
p-Menth-1-en-8-ol, acetate
CAS REGISTRY NUMBER :
80-26-2
BEILSTEIN REFERENCE NO. :
3198769
LAST UPDATED :
199709
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C12-H20-O2
MOLECULAR WEIGHT :
196.32
WISWESSER LINE NOTATION :
L6UTJ A DXOV1

HEALTH HAZARD DATA

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
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
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