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alpha-terpinene

Chemical Structure

General Material Information

Preferred name alpha-terpinene
Trivial Name α-Terpinene
Short Description p-mentha-1,3-diene
Formula C10 H16
CAS Number 99-86-5
FEMA Number 3558
Flavis Number 1.019
ECHA Number 202-795-1
FDA UNII I24X278AP1
Nikkaji Number J4.975A
Beilstein Number 1853379
MDL MFCD00001534
COE Number 11023
xLogP3-AA 2.80 (est)
NMR Predictor External link
JECFA Food Flavoring 1339 p-mentha-1,3-diene
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 99-86-5 ; ALPHA-TERPINENE
Synonyms
  • 1,3-cyclohexadiene, 1-methyl-4-(1-methylethyl)-
  • 1,3-cyclohexadiene, 1-methyl-4-isopropyl-
  • p- mentha-1,3-diene
  • para- mentha-1,3-diene
  • 1,3-p- menthadiene
  • 1,3-para- menthadiene
  • 4-methyl-1-(1-methylethyl)-1,3-cyclohexadiene
  • 1-methyl-4-(1-methyl ethyl)-1,3-cyclohexadiene
  • 1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene
  • 1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene
  • 1-methyl-4-isopropyl-1,3-cyclohexadiene
  • 1-methyl-4-isopropylcyclohexadiene-1,3
  • 1-methyl-4-propan-2-ylcyclohexa-1,3-diene
  • 4-iso propyl-1-methyl-1,3-cyclohexadiene
  • 1-iso propyl-4-methyl cyclohexa-1,3-diene
  • 1-iso propyl-4-methyl-1,3-cyclohexadien
  • 1-iso propyl-4-methyl-1,3-cyclohexadiene
  • 1-iso propyl-4-methylcyclohexa-1,3-diene
  • a- terpinene
  • alpha- terpinene natural
  • alpha- terpinene P&F
  • 1-methyl-4-propan-2-ylcyclohexa-1,3-diene
  • 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-
  • p-Mentha-1,3-diene
  • 1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene
  • Terpilene
  • α-Terpinene
  • α-Terpinen
  • 4-Isopropyl-1-methyl-1,3-cyclohexadiene
  • 1-Methyl-4-isopropyl-1,3-cyclohexadiene
  • 1-Isopropyl-4-methyl-1,3-cyclohexadiene

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):C09898
HMDB (The Human Metabolome Database):HMDB36995
FooDB:FDB015967
Export Tariff Code:2902.19.0050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 136.23751831055
Specific gravity @ 25 °C
Pounds per Gallon 6.931 to 6.973
Refractive Index 1.475 to 1.48 @ 20 °C
Boiling Point 173 to 175°C @ 760 mm Hg
Vapor Pressure 1.638 mmHg @ 25 °C
Vapor Density 4.7
Flash Point TCC Value 46.11 °C TCC
logP (o/w) 4.25
Solubility
alcohol Yes
fixed oils Yes
water, 5.915 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Woody
woody, terpenic, lemon, herbal, medicinal, citrus, camphoreous, thyme, spicy, juicy
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity > 2 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 10.00 % in dipropylene glycol. woody terpene lemon herbal medicinal citrus
Mosciano, Gerard P&F 25, No. 6, 26, (2000) At 10.00 %. Citrusy, woody, terpy with camphoraceous and thymol notes. It has spicy and juicy citrus nuances
Flavor Type: Terpenic
terpenic, woody, pine, citrus, lemon, lime, spicy, minty
Mosciano, Gerard P&F 25, No. 6, 26, (2000) At 5.00 - 100.00 ppm. Terpy, woody, piney, citrus lemon and lime with spice and mint nuances
General comment Terpene, citrus

Occurrences

Potential Uses

Applications
Odor purposes Bergamot, Cardamom oil replacer, Citrus, Coriander, Lemon, Lime, Mandarin, Mint, Nutmeg, Orange, Spice, Woody
Flavoring purposes Carrot, Coriander
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
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 37/39 - Wear suitable gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Human Experience:
5 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 1680 mg/kg
(Moreno, 1973ah)

oral-rat LD50 1680 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 873, 1976.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

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-terpinene usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 28.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 93.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: -21.50000
beverages(nonalcoholic): -12.00000
beverages(alcoholic): -10.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -11.50000
fruit ices: --
gelatins / puddings: -12.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -20.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -17.80000
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf

Conclusion on the peer review of the pesticide risk assessment of the active substance terpenoid blend QRD-460
View page or View pdf

Scientific Opinion on the safety and efficacy of aliphatic and aromatic hydrocarbons (chemical group 31) when used as flavourings for all animal species
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 78, Revision 2 (FGE.78Rev2): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic hydrocarbons evaluated by EFSA in FGE.25Rev3
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):99-86-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7462
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WISER:UN 2319
WGK Germany:2
1-methyl-4-propan-2-ylcyclohexa-1,3-diene
Chemidplus:0000099865
RTECS:OS8060000 for cas# 99-86-5