ChemicalBook--->CAS DataBase List--->80-26-2

80-26-2

80-26-2 Structure

80-26-2 Structure
IdentificationMore
[Name]

Terpinyl acetate
[CAS]

80-26-2
[Synonyms]

(+/-)-2-(4-METHYL-3-CYCLOHEXENYL)ISOPROPYL ACETATE
3-CYCLOHEXENE-1-METHANOL, ALPHA, ALPHA, 4-TRIMETHYL:ACETATE
ACETIC ACID TERPINYL ESTER
(+/-)-ALPHA-TERPINYL ACETATE
ALPHA-TERPINYL ACETATE
FEMA 3047
MENTHEN-1-YL-8-PROPIONATE
P-MENTH-1-ENE-8-YL ACETATE
TERPINYL ACETATE
TERPINYL ACETATE AP
1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl acetate
2-(4-Methyl-3-cyclohexenyl)-2-propylAcetate
4-Terpinyl acetate
alpha,alpha,4-trimethyl-3-cyclohexene-1-methanoacetate
Alpha-Terpenyl acetate
alpha-terpinenyl acetate
alpha-Terpineol acetate
alpha-terpineol,acetate
p-Menth-1-en-8-ol, acetate
p-menth-1-en-8-ol,acetate
[EINECS(EC#)]

201-265-7
[Molecular Formula]

C12H20O2
[MDL Number]

MFCD00037155
[Molecular Weight]

196.29
[MOL File]

80-26-2.mol
Chemical PropertiesBack Directory
[Melting point ]

112-113.5 °C
[Boiling point ]

220 °C (lit.)
[density ]

0.953 g/mL at 25 °C(lit.)
[vapor pressure ]

3.515Pa at 23℃
[FEMA ]

3047
[refractive index ]

n20/D 1.465(lit.)
[Fp ]

>230 °F
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 100 mg/mL (509.45 mM; Need ultrasonic)
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. herbal bergamot lavender lime citrus
[Odor Type]

herbal
[Water Solubility ]

23mg/L at 23℃
[JECFA Number]

368
[BRN ]

3198769
[LogP]

4.4 at 30℃
[Uses]

Perfumes, flavoring agent.
[CAS DataBase Reference]

80-26-2(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Cyclohexene-1-methanol, «alpha»,«alpha»,4-trimethyl-, acetate(80-26-2)
[EPA Substance Registry System]

80-26-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

OT0200000
[TSCA ]

Yes
[HS Code ]

29153900
[Safety Profile]

Mildly toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
[Toxicity]

The acute oral LD50 value in rats was reported as 5.075 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic anhydride-->Sodium acetate-->Turpentine oil-->(-)-alpha-Terpineol-->Pinitol oil
[Preparation Products]

FENCHYL ACETATE-->cis-4-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol-->Terpinolene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Terpinyl acetate(80-26-2).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid; odor suggestive of bergamot and lavender. Soluble in five or more volumes of 70% alcohol; slightly soluble in water and glycerol. Combustible.
[Chemical Properties]

The enantiomers and the racemate occur in many essential oils (e.g., Siberian pine-needle oil and cypress oil), but generally not as the main component. Pure Terpinyl acetate are colorless liquids with a fresh bergamot–lavender odor. Commercially available terpinyl acetate consists mainly of alpha-terpinyl acetate, but also contains a number of other isomeric compounds such as beta-terpinyl acetate. It can be prepared by acetylating the terpineol mixture obtained from terpin hydrate, using a customary procedure for tertiary alcohols.
Because of its odor properties, stability, and low price, large quantities of terpinyl acetate are used in perfumery for lavender and bergamot types, as well as in essential oil reconstitutions.
[Physical properties]

Terpinyl acetate is a p-menthane monoterpenoid that naturally found in melanoleuca, elettaria cardamomum. It is a colorless liquid with a bergamot, bergamot odor. Soluble in five or more volumes of 70% alcohol; slightly soluble in water and glycerol. Combustible.
[Occurrence]

Reported in over 40 essential oils, including cypress, Malabar cardamom, cajeput niaouli, Siberian pine needles, pine, Melaleuca trichostachya, Melaleuca pauciflora and others; also identified in the essential oils of bitter orange (Fenarolfs Handbook of Flavor Ingredients, 1971 ; Gildemeister & Hoffman, 1966).
[Definition]

ChEBI: Alpha-Terpinyl acetate is a p-menthane monoterpenoid.
[Preparation]

By acetylation of a-terpineol or mixed isomeric terpineols (Bedoukian, 1967).
[Synthesis Reference(s)]

Tetrahedron, 38, p. 1843, 1982 DOI: 10.1016/0040-4020(82)80261-5
[General Description]

Α-Terpinyl acetate, a monoterpene ester, is a commercially important fragrance molecule. It can be prepared from α-pinene in the presence of H-beta zeolite catalysts. The essential oils obtained from Stachys setifera ssp. iranica, Chamaecyparis obtuse leaves and Thymus willkomii contain Α-terpinyl acetate as one of the main components.
[Flammability and Explosibility]

Nonflammable
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Terpinyl acetate(80-26-2)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

alpha-Terpinyl acetate, tech. 90%(80-26-2)
[Sigma Aldrich]

80-26-2(sigmaaldrich)
[TCI AMERICA]

Terpinyl Acetate,>80.0%(GC)(80-26-2)
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