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alpha-terpinyl acetate

Chemical Structure

General Material Information

Preferred name alpha-terpinyl acetate
Trivial Name (±)-α-Terpinyl acetate
Short Description 2-(4-methyl-3-cyclohexen-1-yl)-2-propanyl acetate
Formula C12 H20 O2
CAS Number 80-26-2
Deleted CAS Number 104806-93-1
FEMA Number 3047
ECHA Number 201-265-7
FDA UNII 9RXE0I9F2J
Nikkaji Number J1.301C
Beilstein Number 3198769
MDL MFCD00037155
COE Number 205
xLogP3-AA 2.40 (est)
Bio Activity Summary External link
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 80-26-2 ; TERPINYL ACETATE
Synonyms
  • 3-cyclohexene-1-methanol, a,a,4-trimethyl-, acetate
  • lindenyl acetate
  • p- menth-1-en-8-ol acetate
  • para- menth-1-en-8-ol acetate
  • p- menth-1-en-8-ol, acetate
  • p- menth-1-en-8-yl acetate
  • para- menth-1-en-8-yl acetate
  • 1-methyl-1-(4-methyl cyclohex-3-enyl) ethyl ethanoate
  • 1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
  • 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl acetate
  • 1-methyl-1-(4-methylcyclohex-3-enyl)ethylethanoate
  • 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
  • 2-(4-methyl-3-cyclohexen-1-yl)-2-propanyl acetate
  • 2-(4-methyl-3-cyclohexen-1-yl)-2-propyl acetate
  • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
  • terpenyl acetate extra
  • (±)-a- terpineol acetate
  • alpha- terpineol acetate
  • (±)-a- terpinyl acetate
  • (±)-alpha- terpinyl acetate
  • a- terpinyl acetate
  • terpinyl acetate (natural)
  • terpinyl acetate extra
  • terpinyl acetate extra FCC
  • terpinyl acetate india, natural isolated constituent
  • terpinyl acetate natural
  • terpinyl acetate-alpha
  • (±)-alpha,alpha,4-trimethyl cyclohex-3-ene-1-methyl acetate
  • (1)-alpha,alpha,4-trimethyl cyclohex-3-ene-1-methyl acetate
  • alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol acetate
  • (+/-)-alpha,alpha,4-trimethylcyclohex-3-ene-1-methyl acetate
  • (±)-alpha,alpha,4-trimethylcyclohex-3-ene-1-methyl acetate
  • (1)-alpha,alpha,4-trimethylcyclohex-3-ene-1-methyl acetate
  • 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
  • 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, 1-acetate
  • p-Menth-1-en-8-ol, acetate
  • 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, acetate
  • α-Terpineol acetate
  • α-Terpinyl acetate
  • Terpinyl acetate
  • 2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate
  • (±)-α-Terpineol acetate
  • (±)-α-Terpinyl acetate
  • 2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl acetate
  • α,α,4-Trimethyl-3-cyclohexene-1-methanol acetate

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Literature & References

2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:80-26-2
Pubchem (cid):111037
Pubchem (sid):135068685
Flavornet:80-26-2
Pherobase:View
Publications by PubMed
Chemical composition and in vitro antimicrobial and antioxidant activities of Citrus aurantium l. flowers essential oil (Neroli oil).
Characterization of essential oil from Citrus aurantium L. flowers: antimicrobial and antioxidant activities.
Volatile organic compounds obtained by in vitro callus cultivation of Plectranthus ornatus Codd. (Lamiaceae).
Identification of repellent and insecticidal constituents of the essential oil of Artemisia rupestris L. aerial parts against Liposcelis bostrychophila Badonnel.
Chemical variability of the essential oil of Juniperus phoenicea var. turbinata from Algeria.
Synergistic combinations of high hydrostatic pressure and essential oils or their constituents and their use in preservation of fruit juices.
Bioactivity of Dianthus caryophyllus, Lepidium sativum, Pimpinella anisum, and Illicium verum essential oils and their major components against the West Nile vector Culex pipiens.
Comparative Chemical Composition and Antioxidant Properties of the Essential Oils and Aromatic Water from Teucrium persicum Boiss.
Fumigant toxicity and oviposition deterrency of the essential oil from cardamom, Elettaria cardamomum, against three stored–product insects.
Chemical polymorphism of essential oils from populations of Laurus nobilis grown on Tunisia, Algeria and France.
Chemical composition of leaf and root essential oils of Boenninghausenia albiflora Reichb. from northern India.
Comparison of headspace solid-phase microextraction, headspace single-drop microextraction and hydrodistillation for chemical screening of volatiles in Myrtus communis L.
Phylogenetic relationships of the genus Chamaecyparis inferred from leaf essential oil.
Chemotaxonomic significance of the essential oils of 18 Ferula species (Apiaceae) from Iran.
Effective antibacterial and antioxidant properties of methanolic extract of Laurus nobilis seed oil.
A DFT analysis of thermal decomposition reactions important to natural products.
Free radical scavenging and antibacterial activities, and GC/MS analysis of essential oils from different parts of Falcaria vulgaris from two regions.
Volatile oil constituents and antibacterial activity of different parts of Falcaria vulgaris Bernh. growing wild in two localities from Iran.
Chemical composition and antibacterial, antifungal and antioxidant activities of the flower oil of Retama raetam (Forssk.) Webb from Tunisia.
Supercritical CO2 extraction of essential oils from Chamaecyparis obtusa.
Extraction, separation and isolation of volatiles from Vitex agnus-castus L. (Verbenaceae) wild species of Sardinia, Italy, by supercritical CO2.
Volatile constituents and antibacterial screening of the essential oil of Chenopodium ambrosioides L. growing in Nigeria.
Studies on the antioxidant activity of essential oil and different solvent extracts of Vitexagnuscastus L. fruits from Turkey.
Essential oil composition and variability of Laurus nobilis L. growing in Tunisia, comparison and chemometric investigation of different plant organs.
Biological activity evaluation of the oils from Laurus nobilis of Tunisia and Algeria extracted by supercritical carbon dioxide.
Essential oil composition of Laurus nobilis L. of different growth stages growing in Iran.
Chemical composition of essential oils of Thymus and Mentha species and their antifungal activities.
Extraction and separation of volatile and fixed oils from berries of Laurus nobilis L. by Supercritical CO2.
Variability of the needle essential oils of Pinus peuce from different populations in Montenegro and Serbia.
Chemical composition and fungitoxic activity of essential oil of Thuja orientalis L. grown in the north-western Himalaya.
Comparison of chemical composition of the essential oil of Laurus nobilis L. leaves and fruits from different regions of Hatay, Turkey.
Chemical composition and antibacterial activity of essential oil from Artemisia feddei.
Gas chromatography/mass spectrometry analysis of Laurus nobilis essential oil composition of northern Cyprus.
Influence of phenological stages and method of distillation on Iranian cultivated Bay leaves volatile oil.
Chemical composition and antimicrobial activity of Chamaecyparis obtusa leaf essential oil.
Comparative chemical composition and antioxidant activities of wild and cultivated Laurus nobilis L. leaves and Foeniculum vulgare subsp. piperitum (Ucria) coutinho seeds.
Effect of different locations on the chemical composition of essential oils of laurel (Laurus nobilis L.) leaves growing wild in Turkey.
Comparative analysis of the oil and supercritical CO2 extract of Elettaria cardamomum (L.) Maton.
Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L.
Supercritical carbon dioxide extraction of essential oils from Perovskia atriplicifolia Benth.
Supercritical carbon dioxide extraction and characterization of Laurus nobilis essential oil.
Intraspecific chemical variability of the leaf essential oil of Juniperus phoenicea subsp. turbinata from Corsica.
Solid phase microextraction of volatile constituents from individual fresh Eucalyptus leaves of three species.
Chemical composition and antimicrobial action of the essential oils of Salvia desoleana and S. sclarea.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C12300
HMDB (The Human Metabolome Database):HMDB39477
FooDB:FDB008756
YMDB (Yeast Metabolome Database):YMDB01791
Export Tariff Code:2915.39.9050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 196.28979492188
Specific gravity @ 25 °C
Pounds per Gallon 7.938 to 8.005
Specific gravity @ 20 °C
Pounds per Gallon 7.956 to 8.022
Refractive Index 1.463 to 1.467 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.039 mmHg @ 25 °C
Flash Point TCC Value 99.44 °C TCC
logP (o/w) 3.96
Shelf life 36 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
fixed oils Yes
kerosene Yes
paraffin oil Yes
propylene glycol Yes
water, 18.97 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
antiperspirant Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
liquid detergent Unspecified
non-discoloring in most media Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Herbal
herbal, bergamot, lavender, lime, citrus, spicy, woody, floral, waxy, clean
Odor strength medium
Substantivity 20 hour(s) at 100.00 %
Luebke, William tgsc, (1981) At 100.00 %. herbal bergamot lavender lime citrus
Mosciano, Gerard P&F 22, No. 4, 75, (1997) Herbal, citrus, spicy, woody, floral, waxy and clean
Flavor Type: Woody
woody, citrus, spicy, floral, grapefruit, seedy
Mosciano, Gerard P&F 22, No. 4, 75, (1997) At 12.50 ppm. Woody, citrus, spicy, floral, grapefruit and seedy

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H319 - Causes serious eye irritation
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
Human Experience:
5 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 5075 mg/kg
SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

oral-mouse LD50 4800 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 27, 1993.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-mammal (species unspecified) LC50 > 1000 mg/m3
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 27, 1993.

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for alpha-terpinyl acetate usage levels up to:
30.0000 % in the fragrance concentrate.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -15.00000
beverages(nonalcoholic): -3.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 14.00000260.00000
condiments / relishes: -15.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.20000
fruit ices: -3.20000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -9.90000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.7000040.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):80-26-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :111037
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Chemidplus:0000080262
RTECS:OT0200000 for cas# 80-26-2