(E,E)-2,6-alloocimene
2,4,6-octatriene, 2,6-dimethyl-, (4E,6E)-
 
Notes:
None found
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(4E,6E)-2,6-dimethylocta-2,4,6-triene (Click)
CAS Number: 3016-19-1Picture of molecule
ECHA EINECS - REACH Pre-Reg: 221-153-1
FDA UNII: 6TF53L340E
Nikkaji Web: J205.317I
Beilstein Number: 1719993
MDL: MFCD00009278
XlogP3-AA: 4.20 (est)
Molecular Weight: 136.23752000
Formula: C10 H16
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: colorless to greenish yellow clear liquid (est)
Assay: 80.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.79100 to 0.81000 @  25.00 °C.
Pounds per Gallon - (est).: 6.582 to  6.740
Refractive Index: 1.53500 to 1.54500 @  20.00 °C.
Melting Point: -35.40 °C. @ 760.00 mm Hg
Boiling Point: 188.00 to  198.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.816000 mm/Hg @ 25.00 °C. (est)
Flash Point: 125.00 °F. TCC ( 51.67 °C. )
logP (o/w): 4.392 (est)
Soluble in:
 alcohol
 water, 2.348 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: terpenic
Odor Strength: medium
 terpenic  sweet  fresh  floral  
Odor Description:
at 100.00 %. 
terpene sweet fresh floral
Luebke, William tgsc, (1989)
Substantivity: 120 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Reincke & Fichtner
alloOcimene
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Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 22 - Harmful if swallowed.
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:
oral-rat LD50  1900 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 309, 1988.

Dermal Toxicity:
skin-rabbit LD50 3400 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 309, 1988.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (E,E)-2,6-alloocimene usage levels up to:
  5.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 3016-19-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5368821
National Institute of Allergy and Infectious Diseases: Data
 (4E,6E)-2,6-dimethylocta-2,4,6-triene
Chemidplus: 0003016191
RTECS: RH2010000 for cas# 3016-19-1
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References:
 (4E,6E)-2,6-dimethylocta-2,4,6-triene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 3016-19-1
Pubchem (cid): 5368821
Pubchem (sid): 134978110
Pherobase: View
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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
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2901.29.0011
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
For Odor
earthy
 octyl phenyl acetateFL/FR
floral
 bois de rose oil brazilFL/FR
 coranol (Firmenich)FR
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ho leaf oilFR
 ho wood oilFR
laevo-linaloolFL/FR
dextro-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 tetrahydrolinaloolFL/FR
spicy
 cubeb oilFL/FR
 mace oleoresinFL/FR
terpenic
para-cymeneFL/FR
alpha-phellandreneFL/FR
woody
 sabineneFL/FR
 
For Flavor
 
No flavor group found for these
 ethyl linalyl etherFL/FR
laevo-linaloolFL/FR
dextro-linaloolFL/FR
 octyl phenyl acetateFL/FR
citrus
 linaloolFL/FR
floral
 bois de rose oil brazilFL/FR
 dihydrolinaloolFL/FR
 linalyl anthranilateFL/FR
 tetrahydrolinaloolFL/FR
green
 linalool oxideFL/FR
herbal
3,6-dimethyl-3-octanolFL/FR
spicy
 cubeb oilFL/FR
 mace oleoresinFL/FR
terpenic
para-cymeneFL/FR
alpha-phellandreneFL/FR
woody
 sabineneFL/FR
 
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Potential Uses:
 christmas blendsFR
 herbalFR
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 allocimene A
(4E,6E)-alloocimene
(E,E)-alloocimene
4-trans-6-trans-alloocimene
trans,trans-alloocimene
(4E,6E)-2,6-dimethyl octa-2,4,6-triene
(E,E)-2,6-dimethyl octa-2,4,6-triene
(E)-2,(E)-6-dimethyl octa-2,4,6-triene
(4E,6E)-2,6-dimethyl-2,4,6-octatriene
(E,E)-2,6-dimethyl-2,4,6-octatriene
trans,trans-2,6-dimethyl-2,4,6-octatriene
(4E,6E)-2,6-dimethyl-octa-2,4,6-triene
2,6-dimethyl-octa-2,4,6-triene, trans
(4E,6E)-2,6-dimethylocta-2,4,6-triene
(E,E)-2,6-dimethylocta-2,4,6-triene
(4E,6E)-allo-ocimene
(E,E)-2,6-alloocimene
(E,E)-2,6-allo-ocimene
(E)-2,(E)-6-allo-ocimene
trans-2,trans-6-allo-ocimene
trans,trans-2,6-allo-ocimene
 ocimene, allo
2,4,6-octatriene, 2,6-dimethyl-, (4E,6E)-
2,4,6-octatriene, 2,6-dimethyl-, (E,E)-
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Articles:
PubMed: Essential oils from five species of Annonaceae from Vietnam.
PubMed: Effect of the method of preparation on the composition and cytotoxic activity of the essential oil of Pituranthos tortuosus.
PubMed: Anticonvulsant activity and chemical composition of Artemisia dracunculus L. essential oil.
PubMed: [Study of chemical constituents of essential oil from flowers of Mikania micrantha H.B.K].
PubMed: The essential oil of Apium graveolens var. secalinum and its cercaricidal activity.
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