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Merck
CN

W304799

α-Terpinyl acetate

FG

Synonym(s):

(±)-α-Terpinyl acetate, predominantly α-isomer, (±)-2-(4-Methyl-3-cyclohexenyl)isopropyl acetate

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About This Item

Empirical Formula (Hill Notation):
C12H20O2
CAS Number:
80-26-2
Molecular Weight:
196.29
FEMA Number:
3047
Council of Europe no.:
205
UNSPSC Code:
12164502
PubChem Substance ID:
329830558
Flavis number:
9.015
EC Number:
201-265-7
NACRES:
NA.21
MDL number:
MFCD00037155
Beilstein/REAXYS Number:
3198769
Organoleptic:
herbaceous; floral; woody; citrus; spicy
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

Key Documents

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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

SMILES string

CC(=O)OC(C)(C)C1CCC(C)=CC1

biological source

synthetic

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 172.515

refractive index

n20/D 1.465 (lit.)

bp

220 °C (lit.)

density

0.953 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

herbaceous; floral; woody; citrus; spicy

Quality Level

300

Related Categories

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.

Application


  • Eucalyptus Oils Phytochemical Composition in Correlation with Their Newly Explored Anti-SARS-CoV-2 Potential: in Vitro and in Silico Approaches.: This research evaluates the antiviral potential of Eucalyptus oils, including α-terpinyl acetate, highlighting its role in combating SARS-CoV-2 through various biochemical mechanisms and suggesting its utility in therapeutic formulations (El-Shiekh RA et al., 2024).

  • Systematic analysis of antimicrobial activity, phytochemistry, and in silico molecular interaction of selected essential oils and their formulations from different Indian spices against foodborne bacteria.: Investigates the antimicrobial properties of essential oils containing α-terpinyl acetate, underscoring its effectiveness against foodborne pathogens and its potential in food safety applications (Gupta N et al., 2023).

pictograms

Environment
GHS09

hcodes

H411

Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

212.0 °F - closed cup

flash_point_c

100 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS4430
SHBR9796
SHBR9795
SHBQ4643
SHBR0802

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Composition of the essential oil of Stachys setifera CA Mey ssp. iranica growing in Iran.
Javidnia K, et al.
Flavour and Fragrance Journal, 18(4), 299-300 (2003)
Composition and variability of the essential oil of Thymus willkomii.
Phytochemistry, 30(7), 2289-2293 (1991)
Conversion of ?-pinene to terpinyl acetate over H-beta zeolites.
Gainsford GJ, et al.
Applied Catalysis A: General, 209(1), 269-277 (2001)
Chemical composition and antimicrobial activity of Chamaecyparis obtusa leaf essential oil.
Yang JK, et al.
Fitoterapia, 78(2), 149-152 (2007)

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