| Name: | 2,6-dimethylocta-2,4,6-triene |
| CAS Number: | 673-84-7 |  3D/inchi
|
| Other(deleted CASRN): | 17627-38-2 |
| ECHA EINECS - REACH Pre-Reg: | 211-614-5 |
| FDA UNII: | J9D0BS5BZN |
| Beilstein Number: | 1719993 |
| MDL: | MFCD00009278 |
| XlogP3: | 4.20 (est) |
| Molecular Weight: | 136.23752000 |
| Formula: | C10 H16 |
| BioActivity Summary: | listing |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| CASrn in Register does not specify configuration of double bonds.
Mixtures of (E)- and (Z)-isomers (EFFA, 2010a). CASrn in Register does not specify stereoisomeric composition. Composition of the stereoisomeric mixture to be specified.
Mixture of (E)- and (Z)-isomers (EFFA 2010). 4E,6E (25 - 50 %); 4E,6Z (25 - 30 %); 4Z,6E (25 - 30 %); 4Z,6Z (10 - 20 %) (EFFA, 2013). CASrn in Register does not specify stereoisomeric composition |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 sum of isomers
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.80900 to 0.81500 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 6.732 to 6.782
|
| Refractive Index: | 1.53900 to 1.54500 @ 20.00 °C.
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| Boiling Point: | 188.00 to 189.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 73.00 to 75.00 °C. @ 14.00 mm Hg
|
| Vapor Pressure: | 0.816000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.7 ( Air = 1 ) |
| Flash Point: | 163.00 °F. TCC ( 72.78 °C. )
|
| logP (o/w): | 4.392 (est) |
| Soluble in: |
| | alcohol | | | water, 2.348 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: floral |
| sweet floral nut skin peppery herbal tropical |
Odor Description:at 100.00 %. sweet floral nut skin peppery herbal tropical
Luebke, William tgsc, (1983) |
| Odor sample from: SCM Glidco Organics |
| Flavor Type: citrus |
| citrus terpenic tropical spicy nutty nut flesh |
Taste Description: citrus terpenic tropical spicy nutty nut flesh
Luebke, William tgsc, (1983) |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
| Berjé |
| Allo Ocimene
|
| Media |
| BOC Sciences |
| For experimental / research use only. |
| 2,4,6-Octatriene,2,6-dimethyl-
|
| DRT Terpenes |
| alloOCIMENE
≥ 95% |
| Penta International |
| ALLO-OCIMENE
|
| Pfaltz & Bauer |
| For experimental / research use only. |
| Allo-ocimene 95%
|
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2,6-Dimethyl-2,4,6-octatriene
|
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2,6-Dimethyl-2,4,6-octatriene, technical grade, 80%
|
| Vigon International |
| Alloocimene
|
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xn - Harmful. |
R 22 - Harmful if swallowed.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
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.
|
| |
| 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. |
| Oral/Parenteral Toxicity: |
|
Not determined
|
| 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 alloocimene usage levels up to: | | | 4.0000 % in the fragrance concentrate.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 9.10 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
| |
| 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 |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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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
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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
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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
|
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 Flavouring Group Evaluation 25, Revision 3 (FGE.25Rev3): Aliphatic hydrocarbons from chemical group 31
View page or View pdf
|
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):673-84-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12658 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2,6-dimethylocta-2,4,6-triene |
| Chemidplus:0000673847 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 2,6- | dimethyl octa-2,4,6-triene | | (E+Z)-2,6- | dimethyl-2,4,6-octatriene | | 2,6- | dimethyl-2,4,6-octatriene | | trans and cis-2,6- | dimethyl-2,4,6-octatriene | | 2,6- | dimethyl-octa-2,4,6-triene | | (E+Z)-2,6- | dimethylocta-2,4,6-triene | | 2,6- | dimethylocta-2,4,6-triene | | (E+Z)-allo | ocimene | | allo- | ocimene | | trans and cis-allo | ocimene | | 2,4,6- | octatriene, 2,6-dimethyl- | | 2,4,6- | octatriene, 2,6-dimethyl-, (E+Z)- |
Articles:
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