neryl hexanoate
neryl caproate
 
Notes:
None found
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[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanoate (Click)
CAS Number: 68310-59-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 269-718-1
FDA UNII: 7YL4OO10LS
Nikkaji Web: J149.332I
XlogP3-AA: 5.40 (est)
Molecular Weight: 252.39756000
Formula: C16 H28 O2
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
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
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Physical Properties:
Food Chemicals Codex Listed: No
Boiling Point: 333.26 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.000138 mm/Hg @ 25.00 °C. (est)
Flash Point: 214.00 °F. TCC ( 101.11 °C. )
logP (o/w): 6.230 (est)
Soluble in:
 alcohol
 water, 0.07261 mg/L @ 25 °C (est)
Insoluble in:
 water
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(Z)-3-hexen-1-yl hexanoate
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methyl hexanoate
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Organoleptic Properties:
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Neryl Hexanoate
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Safety Information:
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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: flavor and fragrance agents
Recommendation for neryl hexanoate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 68310-59-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5365992
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 [(2Z)-3,7-dimethylocta-2,6-dienyl] hexanoate
Chemidplus: 0068310598
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References:
 [(2Z)-3,7-dimethylocta-2,6-dienyl] hexanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5365992
Pubchem (sid): 134990483
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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:
None Found
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Occurrence (nature, food, other): note
 pepper tree berry oil @ 0.28%
Data  GC  Search Trop  Picture
 pepper tree leaf oil @ 2.94%
Data  GC  Search Trop  Picture
 pepper tree oil
Search Trop  Picture
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Synonyms:
(Z)-3,7-dimethyl-2,6-octadienyl hexanoate
[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanoate
(Z)-geranyl caproate
(Z)-geranyl hexanoate
 hexanoic acid (2Z)-3,7-dimethyl-2,6-octadienyl ester
 hexanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester
 neryl caproate
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