(E)-3,12-tridecadiene nitrile
trans-3,12-tridecadienenitrile
 
Notes:
None found
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CAS Number: 124071-42-7Picture of molecule3D/inchi
Nikkaji Web: J1.565.153I
XlogP3-AA: 4.70 (est)
Molecular Weight: 191.31737000
Formula: C13 H21 N
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 288.31 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 272.00 °F. TCC ( 133.40 °C. ) (est)
logP (o/w): 4.673 (est)
Soluble in:
 alcohol
 water, 1.702 mg/L 2 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: mandarin
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
 mandarin  
Odor Description:
at 1.00 % in dipropylene glycol. 
mandarin
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
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
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for (E)-3,12-tridecadiene nitrile flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6450538
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 (3E)-trideca-3,12-dienenitrile
Chemidplus: 0134769338
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References:
 (3E)-trideca-3,12-dienenitrile
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6450538
Pubchem (sid): 135236612
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Other Information:
(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
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 mandarin oil terpenesFL/FR
aldehydic
 mandarine undecenalFL/FR
3-methyl-4-hexyl oxybutyraldehydeFR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
citrus
 citrus nobilis fruit extractFL/FR
 citrus nobilis peel extractFL/FR
 citrus reticulata blanco var. mandarin oil molecular distilledFL/FR
 citrus unshiu peel oilFL/FR
(E)-4-decenalFL/FR
(Z)-7-decenalFR
3-dodecenalFR
 mandarin essenceFL/FR
clementine mandarin fragranceFR
 mandarin fragranceFR
 mandarin lemon fagranceFR
 mandarin oilFL/FR
 mandarin oil (citrus reticulata blanco var. mandarin) japanFL/FR
 mandarin oil (citrus reticulata nova var. mandarin) uruguayFL/FR
 mandarin oil (citrus reticulata var. ponkan)FL/FR
 mandarin oil argentinaFL/FR
clementine mandarin oil decolorizedFL/FR
 mandarin oil decolorizedFL/FR
 mandarin oil foldedFL/FR
clementine mandarin oil foldedFL/FR
 mandarin oil italyFL/FR
 mandarin oil replacerFR
clementine mandarin oil terpenesFL/FR
king mandarin orange peel oil expressedFR
clementine mandarin peel oilFL/FR
 mandarin specialtyFR
 petitgrain mandarin oil replacerFL/FR
alpha-sinensalFL/FR
 waxy nitrileFR
 yuzu specialtyFR
fatty
(E,Z)-2,6-dodecadienalFL/FR
floral
 hydroxycitronellal / methyl anthranilate schiff's baseFR
terpeneless mandarin oilFL/FR
 neroli oilFL/FR
 neroli oil bigardeFL/FR
bitter orangeflower water absoluteFL/FR
 petitgrain mandarin oil terpenelessFL/FR
 petitgrain mandarin orange oilFR
clementine petitgrain oilFL/FR
 phenyl acetaldehyde / methyl anthranilate schiff's baseFR
fruity
 ethyl methyl anthranilateFL/FR
green
 evodia rutaecarpa fruit oil 
 neogallFR
herbal
(E)-2-dodecenalFL/FR
2-dodecenalFL/FR
spicy
 zanthoxylum piperitum fruit absolute CO2 extractFL/FR
 
For Flavor
 
No flavor group found for these
 citrus unshiu peel oilFL/FR
 ethyl methyl anthranilateFL/FR
 evodia rutaecarpa fruit oil 
 mandarine undecenalFL/FR
alpha-sinensalFL/FR
 mandarin oil terpenesFL/FR
citrus
 citrus nobilis fruit extractFL/FR
 citrus nobilis peel extractFL/FR
 citrus reticulata blanco var. mandarin oil molecular distilledFL/FR
 mandarin essenceFL/FR
terpeneless mandarin oilFL/FR
 mandarin oilFL/FR
 mandarin oil (citrus reticulata blanco var. mandarin) japanFL/FR
 mandarin oil (citrus reticulata nova var. mandarin) uruguayFL/FR
 mandarin oil (citrus reticulata var. ponkan)FL/FR
 mandarin oil argentinaFL/FR
 mandarin oil decolorizedFL/FR
clementine mandarin oil decolorizedFL/FR
 mandarin oil foldedFL/FR
clementine mandarin oil foldedFL/FR
 mandarin oil italyFL/FR
clementine mandarin oil terpenesFL/FR
clementine mandarin peel oilFL/FR
 petitgrain mandarin oil replacerFL/FR
clementine petitgrain oilFL/FR
fatty
2-dodecenalFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 neroli oilFL/FR
 neroli oil bigardeFL/FR
bitter orangeflower water absoluteFL/FR
fruity
 petitgrain mandarin oil terpenelessFL/FR
green
(E,Z)-2,6-dodecadienalFL/FR
ripe
(E)-4-decenalFL/FR
spicy
 zanthoxylum piperitum fruit absolute CO2 extractFL/FR
waxy
(E)-2-dodecenalFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
(3E)-trideca-3,12-dienenitrile
(E)-3,12-tridecadienenitrile
trans-3,12-tridecadienenitrile
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Articles:
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