Preferred name | myrcene |
Trivial Name | Myrcene |
Short Description | 7-methyl-3-methylene-1,6-octadiene |
Formula | C10 H16 |
CAS Number | 123-35-3 |
Deleted CAS Number | 2153-31-3 |
FEMA Number | 2762 |
Flavis Number | 1.008 |
ECHA Number | 204-622-5 |
FDA UNII | 3M39CZS25B |
Nikkaji Number | J2.010I |
Beilstein Number | 1719990 |
MDL | MFCD00008908 |
COE Number | 2197 |
xLogP3-AA | 4.30 (est) |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 1327 myrcene |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 123-35-3 ; BETA-MYRCENE |
Synonyms |
|
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 |
7-methyl-3-methylideneocta-1,6-diene | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 123-35-3 |
Pubchem (cid): | 31253 |
Pubchem (sid): | 134974559 |
Flavornet: | 123-35-3 |
Pherobase: | View |
(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): | C06074 |
HMDB (The Human Metabolome Database): | HMDB38169 |
FooDB: | FDB017400 |
YMDB (Yeast Metabolome Database): | YMDB01753 |
Export Tariff Code: | 2901.29.0000 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Material listed in food chemical codex | Yes |
Molecular weight | 136.23751831055 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 6.582 to 6.615 |
Refractive Index | 1.466 to 1.471 @ 20 °C |
Boiling Point | 166 to 167°C @ 760 mm Hg |
Boiling Point | 65 to 66°C @ 20 mm Hg |
Vapor Pressure | 2.29 mmHg @ 25 °C |
Vapor Density | 4.7 |
Flash Point TCC Value | 39.44 °C TCC |
logP (o/w) | 4.17 |
Solubility | |
alcohol | Yes |
dipropylene glycol | Yes |
fixed oils | Yes |
water, 6.923 mg/L @ 25 °C (est) | Yes |
water, 5.6 mg/L @ 25 °C (exp) | Yes |
water | No |
Odor Type: Spicy | |
peppery, terpenic, spicy, balsamic, plastic, herbal, woody, rose, celery, carrot | |
Odor strength | high , recommend smelling in a 5.00 % solution or less |
Substantivity | < 1 hour(s) at 100.00 % |
Luebke, William tgsc, (1988) | At 5.00 % in dipropylene glycol. peppery terpene spicy balsam plastic |
Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 10.00 %. Terpy, herbaceous, woody with a rosy celery and carrot nuance |
Flavor Type: Woody | |
woody, vegetable, citrus, fruity, tropical, mango, leafy, minty | |
Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 5.00 - 100.00 ppm. Woody, vegetative, citrus, fruity with a tropical mango and slight leafy minty nuances |
General comment | Fresh, citrus in dilution |
(data available) |
Applications | |
Odor purposes | Acacia, Bayberry, Celery, Citrus, Clary sage oil replacer, Coffee, Cypress oil replacer, Fruit, Guava, Herbal, Hop, Lemon, Lemongrass, Mango, Nutmeg, Papaya, Pine, Verbena |
Flavoring purposes | Carrot, Pepper bell pepper, Tomato |
Other purposes | Pepper chili pepper |
Cosmetic purposes | Perfuming agents |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 65 - Harmful: may cause lung damage if swallowed. 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 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. | |
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: | |
4 % solution: no irritation or sensitization. | |
Oral/Parenteral Toxicity: | |
oral-rat LD50 [sex: M] > 5000 mg/kg Identity of compound not stated as other than code number (Moreno, 1972j) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 615, 1976. | |
Dermal Toxicity: | |
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 615, 1976. | |
Inhalation Toxicity: | |
Not determined |
Category: | |||
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 myrcene usage levels up to: | |||
4.0000 % in the fragrance concentrate. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 290.00 (μg/capita/day) | ||
Maximised Survey-derived Daily Intakes (MSDI-USA): | 153.00 (μg/capita/day) | ||
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/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: 3 | |||
Click here to view publication 3 | |||
average usual ppm | average maximum ppm | ||
baked goods: | - | 4.90000 | |
beverages(nonalcoholic): | - | 4.40000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | - | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | 6.40000 | |
fruit ices: | - | 6.40000 | |
gelatins / puddings: | - | - | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | 0.50000 | 13.00000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | - | |
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: | - | - | |
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
average usage mg/kg | maximum usage mg/kg | ||
Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
Processed fruit (04.1): | 7.00000 | 35.00000 | |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
Confectionery (05.0): | 10.00000 | 50.00000 | |
Chewing gum (05.3): | - | - | |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
Bakery wares (07.0): | 10.00000 | 50.00000 | |
Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
Eggs and egg products (10.0): | - | - | |
Sweeteners, including honey (11.0): | - | - | |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 |
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): |
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6 View page or View pdf |
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 |
Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8 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 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009) 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 |
Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). 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 |
Safety and efficacy of eight compounds belonging to chemical group 31 (aliphatic and aromatic hydrocarbons) when used as flavourings for all animal species and categories 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):123-35-3 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :31253 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 2319 |
WGK Germany:2 |
7-methyl-3-methylideneocta-1,6-diene |
Chemidplus:0000123353 |
EPA/NOAA CAMEO:hazardous materials |
RTECS:RG5365000 for cas# 123-35-3 |