ChemicalBook CAS DataBase List 80-26-2

80-26-2

Name	Terpinyl acetate
CAS	80-26-2
EINECS(EC#)	201-265-7
Molecular Formula	C12H20O2
MDL Number	MFCD00037155
Molecular Weight	196.29
MOL File	80-26-2.mol

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

Chemical Properties

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
Specific Gravity	0.96
Odor	at 100.00 %. herbal bergamot lavender lime citrus
biological source	synthetic
Odor Type	herbal
Water Solubility	23mg/L at 23℃
JECFA Number	368
BRN	3198769
Major Application	cleaning products cosmetics flavors and fragrances food and beverages personal care
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
InChIKey	IGODOXYLBBXFDW-UHFFFAOYSA-N
SMILES	CC(=O)OC(C)(C)C1CCC(C)=CC1
LogP	4.4 at 30℃
Uses	Perfumes, flavoring agent. less more
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 Data

Symbol(GHS)	GHS09
Signal word	Warning
Hazard statements	H411
Precautionary statements	P273-P391-P501
Hazard Codes	Xi
Risk Statements	R36/38:Irritating to eyes and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
WGK Germany	2
RTECS	OT0200000
TSCA	Yes
REACH Registrations	Active
HS Code	29153900
Storage Class	10 - Combustible liquids
Hazard Classifications	Aquatic Chronic 2
Safety Profile	Mildly toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. less more
Toxicity	The acute oral LD₅₀ value in rats was reported as 5.075 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). less more

Raw materials And Preparation Products

Hazard Information

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

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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