methyl nerate
2,6-octadienoic acid, 3,7-dimethyl-, methyl ester, (2Z)-
 
Notes:
None found
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methyl (2Z)-3,7-dimethylocta-2,6-dienoate (Click)
CAS Number: 1862-61-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 217-466-8
FDA UNII: VBZ4J48WZZ
Nikkaji Web: J113.555D
XlogP3-AA: 3.40 (est)
Molecular Weight: 182.26286000
Formula: C11 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 247.43 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.026000 mm/Hg @ 25.00 °C. (est)
Flash Point: 229.00 °F. TCC ( 109.60 °C. ) (est)
logP (o/w): 3.972 (est)
Soluble in:
 alcohol
 water, 21.24 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 floral  herbal  citrus  fruity  green  geranium  
Odor Description:
at 100.00 %. 
floral herbal citrus fruity green geranium
  
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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: natural substances and extractives
Recommendation for methyl nerate usage levels up to:
 not for fragrance use.
 
Recommendation for methyl nerate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 1862-61-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5365912
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 methyl (2Z)-3,7-dimethylocta-2,6-dienoate
Chemidplus: 0001862619
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References:
 methyl (2Z)-3,7-dimethylocta-2,6-dienoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5365912
Pubchem (sid): 135037088
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
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 citrusFR
 fruitFR
 geraniumFR
 greenFR
 herbalFR
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Occurrence (nature, food, other): note
 magnolia salicifolia
Search Trop  Picture
 magnolia southern magnolia
Search Trop  Picture
 rosa centifolia
Search Trop  Picture
 rosa damascena
Search Trop  Picture
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Synonyms:
 methyl (2Z)-3,7-dimethylocta-2,6-dienoate
 methyl (Z)-3,7-dimethyl octa-2,6-dienoate
 methyl (Z)-3,7-dimethylocta-2,6-dienoate
 methyl (Z)-geranate
(Z)-methyl dimethyl octadienoate
(Z)-methyl geranate
 methyl-(Z)-geranate
cis-2,6-octadienoic acid, 3,7-dimethyl-, methyl ester
2,6-octadienoic acid, 3,7-dimethyl-, methyl ester, (2Z)-
2,6-octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-
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Articles:
PubMed: Analysis of the volatile compounds of Teucrium flavum L. subsp. flavum (Lamiaceae) by headspace solid-phase microextraction coupled to gas chromatography with flame ionisation and mass spectrometric detection.
PubMed: Occurrence of odorant polyfunctional thiols in the Super Alpha Tomahawk hop cultivar. Comparison with the thiol-rich Nelson Sauvin bitter variety.
PubMed: Social environment determines degree of chemical signalling.
PubMed: Field trials of aggregation pheromones for the stink bugs Chlorochroa uhleri and Chlorochroa sayi (Hemiptera: Pentatomidae).
PubMed: 25 years of natural product R&D with New South Wales agriculture.
PubMed: Identification and synthesis of a male-produced sex pheromone from the stink bug Chlorochroa sayi.
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