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Terpinyl acetate

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Terpinyl acetate Basic information

Product Name:
Terpinyl acetate
Synonyms:
  • MENTHEN-1-YL-8-PROPIONATE
  • FEMA 3047
  • (+/-)-2-(4-METHYL-3-CYCLOHEXENYL)ISOPROPYL ACETATE
  • ACETIC ACID TERPINYL ESTER
  • (+/-)-ALPHA-TERPINYL ACETATE
  • ALPHA-TERPINYL ACETATE
  • TERPINYL ACETATE
  • TERPINYL ACETATE AP
CAS:
80-26-2
MF:
C12H20O2
MW:
196.29
EINECS:
201-265-7
Mol File:
80-26-2.mol
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Terpinyl 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℃
refractive index 
n20/D 1.465(lit.)
FEMA 
3047 | TERPINYL ACETATE (ISOMER MIXTURE)
Flash point:
>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℃
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
.alpha.-Terpinyl acetate (80-26-2)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/38
Safety Statements 
26-36
WGK Germany 
2
RTECS 
OT0200000
TSCA 
Yes
HS Code 
29153900
Toxicity
The acute oral LD50 value in rats was reported as 5.075 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964).

MSDS

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Terpinyl acetate Usage And Synthesis

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). Terpinyl Acetate is found in Pine oil, Cajeput oil, Pine needle oil, Cardamom oil and other essential oils.

Uses

Perfumes, flavoring agent.

Definition

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

Preparation

Terpinyl acetate was successfully synthesized from (x-terpineol and acetic anhydride in supercritical carbon dioxide (SC-C02) by enzymatic catalysis.
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

Non flammable

Safety Profile

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

Terpinyl acetate Preparation Products And Raw materials

Raw materials

Terpinyl acetateSupplier

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