EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

alloocimene
2,4,6-octatriene, 2,6-dimethyl-, (E+Z)-

Sponsors

Name:2,6-dimethylocta-2,4,6-triene
CAS Number: 673-84-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-614-5
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 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:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:01.035 (Old)
DG SANTE Food Flavourings:01.035 2,6-dimethylocta-2,4,6-triene
 
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.
Boiling Point: 188.00 to 189.00 °C. @ 760.00 mm Hg
Boiling Point: 73.00 to 75.00 °C. @ 14.00 mm Hg
Vapor Pressure:0.816000 mm/Hg @ 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
Odor Strength:medium
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
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Aceto
Allo-Ocimene
Berjé
AlloOcimene
Happening at Berje
BOC Sciences
For experimental / research use only.
2,4,6-Octatriene,2,6-dimethyl-
DRT Terpenes
alloOCIMENE
≥ 95%
Penta International
allo-OCIMENE
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
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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

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
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:
 2,6-dimethylocta-2,4,6-triene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:673-84-7
Pubchem (cid):12658
Pubchem (sid):134978110
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2901.29.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
anise
sweet
fennel seed oil
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
citrus
grapefruit oil folded california
FL/FR
grapefruit oil folded florida
FL/FR
lemongrass oil terpenes
FL/FR
lime oil distilled folded
FL/FR
lime oil expressed folded
FL/FR
lime oil expressed furanocoumarin reduced
FL/FR
dextro-
limonene
FL/FR
ocimene quintoxide
FL/FR
floral
dimethyl benzyl carbinyl acetate
FL/FR
ethyl linalyl acetal
FR
linalyl anthranilate
FL/FR
ortho-
methyl acetophenone
FL/FR
(Z)-beta-
ocimene
FL/FR
fruity
(E)-alpha-
damascone
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
green
lilac acetaldehyde
FL/FR
phenoxyacetaldehyde 50% in peomosa
FR
herbal
(-)-
bornyl isovalerate
FL/FR
hop oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
2-
pentyl acetate
FL/FR
spicy
cascarilla oil replacer
FL/FR
terpenic
alpha-
phellandrene
FL/FR
gamma-
terpinene
FL/FR
woody
sabinene
FL/FR
santol pentenol
FR
For Flavor
No flavor group found for these
(-)-
bornyl isovalerate
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
anise
anise
sweet
fennel seed oil
FL/FR
anisic
ortho-
methyl acetophenone
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
citrus
grapefruit oil folded california
FL/FR
grapefruit oil folded florida
FL/FR
lemongrass oil terpenes
FL/FR
lime oil distilled folded
FL/FR
lime oil expressed folded
FL/FR
lime oil expressed furanocoumarin reduced
FL/FR
dextro-
limonene
FL/FR
dairy
2-
pentyl acetate
FL/FR
earthy
tamarind distillates
FL
floral
dimethyl benzyl carbinyl acetate
FL/FR
linalyl anthranilate
FL/FR
fruity
(E)-alpha-
damascone
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
furfuryl propionate
FL
lilac acetaldehyde
FL/FR
green
(Z)-beta-
ocimene
FL/FR
ocimene quintoxide
FL/FR
herbal
hop oil
FL/FR
spicy
cascarilla oil replacer
FL/FR
terpenic
alpha-
phellandrene
FL/FR
gamma-
terpinene
FL/FR
woody
sabinene
FL/FR
 
Potential Uses:
FRbalsam
FRherbal
FRmoss
FRwoody
 
Occurrence (nature, food, other):note
 artemisia campestris spp. glutinosa flower oil italy @ 0.10%
Data GC Search Trop Picture
 artemisia variabilis flower oil italy @ trace%
Data GC Search Trop Picture
 basil oil sweet poland @ 0.11%
Data GC Search Trop Picture
 betel leaf oil @ 0.63%
Data GC Search Trop Picture
 celery leaf oil @ 0.30%
Data GC Search Trop Picture
 currant black currant fruit - up to 0.08 mg/kg
Search Trop Picture
 ferula cupularis flower oil @ 0.91%
Data GC Search Trop Picture
 ferula cupularis leaf oil @ 6.08%
Data GC Search Trop Picture
 guava leaf oil cuba @ trace%
Data GC Search Trop Picture
 lime oil distilled peru @ trace%
Data GC Search Trop Picture
 lovage flower oil @ 0.40%
Data GC Search Trop Picture
 lovage leaf oil @ 0.32%
Data GC Search Trop Picture
 lovage seed oil @ trace%
Data GC Search Trop Picture
 mango fruit - 0.45 mg/kg
Search Trop Picture
 orange juice - 0.08 mg/kg
Search Trop Picture
 sage - trace amount
Search Trop Picture
 tagete oil turkey @ 0.32%
Data GC Search Trop Picture
 
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)-alloocimene
allo-ocimene
trans and cis-alloocimene
2,4,6-octatriene, 2,6-dimethyl-
2,4,6-octatriene, 2,6-dimethyl-, (E+Z)-
 

Articles:

PubMed:Cashew volatiles mediate short-range location responses in Pseudotheraptus wayi (Heteroptera: Coreidae).
PubMed:Antioxidative properties and inhibition of key enzymes relevant to type-2 diabetes and hypertension by essential oils from black pepper.
PubMed:Essential oils from five species of Annonaceae from Vietnam.
PubMed:Isolation and identification of host cues from mango, Mangifera indica, that attract gravid female oriental fruit fly, Bactrocera dorsalis.
PubMed:Effect of the method of preparation on the composition and cytotoxic activity of the essential oil of Pituranthos tortuosus.
PubMed:Specialist leaf beetle larvae use volatiles from willow leaves infested by conspecifics for reaggregation in a tree.
PubMed:Analysis of Mount Atlas mastic smoke: a potential food preservative.
PubMed:Mechanistic and kinetic insights into the thermally induced rearrangement of alpha-pinene.
PubMed:Chemical constituents and larvicidal property of the essential oil of Blumea mollis (D. Don) Merr. against Culex quinquefasciatus.
PubMed:Monoterpene-induced molecular responses in Arabidopsis thaliana.
PubMed:Diurnal variation of walnut tree volatiles and electrophysiological responses in Cydia pomonella (Lepidoptera: Tortricidae).
PubMed:Odor-mediated push-pull pollination in cycads.
PubMed:Analysis of defensive responses activated by volatile allo-ocimene treatment in Arabidopsis thaliana.
PubMed:Volatile C6-aldehydes and Allo-ocimene activate defense genes and induce resistance against Botrytis cinerea in Arabidopsis thaliana.
PubMed:Chemical characterization and antifungal activity of essential oil of capitula from wild Indian Tagetes patula L.
PubMed:Anticonvulsant activity and chemical composition of Artemisia dracunculus L. essential oil.
PubMed:The essential oil of Apium graveolens var. secalinum and its cercaricidal activity.
PubMed:[Experimental effect of alloocimene on soft tissue wound].
PubMed:ALLOOCIMENE: ABSENCE IN CIGARETTE SMOKE.
 
Notes:
representative of carotenoid polyenes.
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