Preferred name | bisabolene |
Trivial Name | γ-Bisabolene |
Short Description | 1,4(8),12-bisabolatriene |
Formula | C15 H24 |
CAS Number | 495-62-5 |
Deleted CAS Number | 11003-31-9 |
FEMA Number | 3331 |
Flavis Number | 1.016 |
ECHA Number | 207-805-8 |
FDA UNII | E6941S3U3Q |
Nikkaji Number | J1.590.260D |
Beilstein Number | 2501191 |
MDL | MFCD00129080 |
COE Number | 10979 |
xLogP3-AA | 4.70 (est) |
NMR Predictor | External link |
JECFA Food Flavoring | 1336 bisabolene |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 495-62-5 ; BISABOLENE |
Synonyms |
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Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 495-62-5 |
Pubchem (cid): | 62346 |
Pubchem (cas): | 495-62-5 |
(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 |
KEGG (GenomeNet): | C16814 |
HMDB (The Human Metabolome Database): | HMDB36154 |
FooDB: | FDB015018 |
Export Tariff Code: | 2902.19.0000 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Material listed in food chemical codex | No |
Molecular weight | 204.35627746582 |
Boiling Point | 261 to 263°C @ 760 mm Hg |
Vapor Pressure | 0.03 mmHg @ 20 °C |
Flash Point TCC Value | 110 °C TCC |
logP (o/w) | 6.704 est |
Solubility | |
alcohol | Yes |
water, 0.008994 mg/L @ 25 °C (est) | Yes |
water | No |
Stability | |
bath foam | Unspecified |
hair spray | Unspecified |
soap | Unspecified |
Odor Type: Fruity | |
balsamic, citrus, myrrh, opoponax, spicy, woody, fruity, tropical, terpenic, green, banana | |
Odor strength | medium |
Substantivity | 104 hour(s) at 100.00 % |
Luebke, William tgsc, (1985) | At 100.00 %. balsamic citrus myrrh opoponax spicy |
Mosciano, Gerard P&F 20, No. 4, 23, (1995) | Woody, citrus, valencene, fruity, tropical, terpy, green and banana |
Flavor Type: Citrus | |
citrus, woody, tropical, floral, fruity, astringent, green | |
Mosciano, Gerard P&F 20, No. 4, 23, (1995) | At 30.00 ppm. Citrus, woody, tropical, floral, fruity, astringent and green |
Used in lemon, lime, green apple, sherry, pineapple and berry flavors. | Berry |
General comment | , spicy and citrus note; tropical, floral, fruity, astringent and green |
(data available) |
Applications | |
Odor purposes | Apple green apple , Balsam , Banana , Bergamot , Berry , Cardamom oil replacer , Citrus , Fir needle oil replacer , Floral , Fruit , Grapefruit , Lemon , Lime , Mandarin , Myrrh , Opoponax , Orange , Orange blossom , Oriental , Pear , Pineapple , Spice , Woody |
Flavoring purposes | Tropical |
Cosmetic purposes | Perfuming agents |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection. | |
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: | |
10 % solution: no irritation or sensitization. | |
Oral/Parenteral Toxicity: | |
oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 725, 1975. | |
Dermal Toxicity: | |
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 725, 1975. | |
Inhalation Toxicity: | |
Not determined |
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 bisabolene usage levels up to: | |||
10.0000 % in the fragrance concentrate. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 13.00 (μg/capita/day) | ||
Maximised Survey-derived Daily Intakes (MSDI-USA): | 10.00 (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: 6 | |||
Click here to view publication 6 | |||
average usual ppm | average maximum ppm | ||
baked goods: | - | 5.00000 | |
beverages(nonalcoholic): | - | 3.00000 | |
beverages(alcoholic): | - | 3.00000 | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | - | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | 3.00000 | |
fruit ices: | - | 3.00000 | |
gelatins / puddings: | - | 3.00000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 5.00000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | 3.00000 | |
meat products: | - | - | |
milk products: | - | - | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | - | - | |
snack foods: | - | - | |
soft candy: | - | - | |
soups: | - | - | |
sugar substitutes: | - | - | |
sweet sauces: | - | - |
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 |
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 |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):495-62-5 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :62346 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:2 |
1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene |
Chemidplus:0000495625 |
RTECS:GW6060000 for cas# 495-62-5 |