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

neryl acetone
5,9-undecadien-2-one, 6,10-dimethyl-, (Z)-

Supplier Sponsors

Name:(5Z)-6,10-dimethylundeca-5,9-dien-2-one
CAS Number: 3879-26-3Picture of molecule3D/inchi
Nikkaji Web:J133.547B
Beilstein Number:1722276
MDL:MFCD00074898
XlogP3-AA:3.70 (est)
Molecular Weight:194.31754000
Formula:C13 H22 O
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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 90.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86800 @ 25.00 °C.
Refractive Index:1.45800 to 1.46800 @ 20.00 °C.
Boiling Point: 80.00 °C. @ 0.03 mm Hg
Boiling Point: 106.00 to 107.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.016000 mmHg @ 25.00 °C. (est)
Flash Point: 225.00 °F. TCC ( 107.22 °C. )
logP (o/w): 4.129 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 8.867 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fatty
Odor Strength:medium
fatty metallic
Odor Description:at 100.00 %. fatty metallic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Nerylacetone
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for neryl acetone usage levels up to:
  10.0000 % in the fragrance concentrate.
 
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :1713001
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(5Z)-6,10-dimethylundeca-5,9-dien-2-one
 
References:
 (5Z)-6,10-dimethylundeca-5,9-dien-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):1713001
Pubchem (sid):10521272
Pherobase:View
 
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
FooDB:FDB008523
Export Tariff Code:2914.19.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
citrus
aldehydic nitrile
FR
(E)-4-
decenal
FL/FR
earthy
methyl undecylenate
FL/FR
fatty
decanol
FL/FR
undecanal propylene glycol acetal
FL/FR
floral
alpha-
amyl cinnamaldehyde / methyl anthranilate schiff's base
FR
benzyl lactate
FL/FR
gardenia concrete
FR
honeysuckle absolute
FR
lily of the valley absolute
FR
mimosa concrete france
FL/FR
nonanol
FL/FR
green
3,7-
dimethyl-6-octenoic acid
FL/FR
oily
petal pyranone
FL/FR
For Flavor
No flavor group found for these
benzyl lactate
FL/FR
undecanal propylene glycol acetal
FL/FR
floral
floral
3,7-
dimethyl-6-octenoic acid
FL/FR
mimosa concrete france
FL/FR
oily
petal pyranone
FL/FR
ripe
(E)-4-
decenal
FL/FR
waxy
decanol
FL/FR
methyl undecylenate
FL/FR
nonanol
FL/FR
 
Potential Uses:
FRcoffee
FRfloral
 
Occurrence (nature, food, other):note
 basil shoot oil
Search Trop Picture
 coffee
Search PMC Picture
 lemon leaf oil
Search Trop Picture
 petitgrain combava oil @ trace%
Data GC Search Picture
 petitgrain lemon oil
Search Trop Picture
 
Synonyms:
(Z)-6,10-dimethyl-5,9-undecadien-2-one
cis-6,10-dimethyl-5,9-undecadien-2-one
(5Z)-6,10-dimethylundeca-5,9-dien-2-one
cis-6,10-dimethylundeca-5,9-dien-2-one
(Z)-geranyl acetone
(Z)-neryl acetone
 nerylacetone
5,9-undecadien-2-one, 6,10-dimethyl-, (5Z)-
5,9-undecadien-2-one, 6,10-dimethyl-, (Z)-
 

Articles:

PubMed:Circadian Release of Male-Specific Components of the Greater Date Moth, Aphomia (Arenipses) Sabella, Using Sequential SPME/GC/MS Analysis.
PubMed:Alterations in exhaled breath metabolite-mixtures in two rat models of lipopolysaccharide-induced lung injury.
PubMed:Steps in the biosynthesis of fuscumol in the longhorn beetles Tetropium fuscum (F.) and Tetropium cinnamopterum Kirby.
PubMed:Male-produced sex pheromone of the cerambycid beetle Hedypathes betulinus: chemical identification and biological activity.
PubMed:[Ozonation of odorous organic compounds in eutrophic water].
PubMed:Mice recognize recent urine scent marks by the molecular composition.
PubMed:Identification of isoprenoid-type components in human expired air: a possible shunt pathway in sterol metabolism.
 
Notes:
None found
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