marine carbonitrile
azuril (IFF)

Sponsors

Name: 3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
CAS Number: 68084-04-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 268-417-2
Nikkaji Web: J289.024K
XlogP3-AA: 3.20 (est)
Molecular Weight: 189.30143000
Formula: C13 H19 N
NMR Predictor: Predict (works with chrome or firefox)
Name: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
CAS Number: 21690-43-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 244-530-2
Nikkaji Web: J225.416F
XlogP3-AA: 3.20 (est)
Molecular Weight: 189.30143000
Formula: C13 H19 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
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: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.91800 to 0.92800 20.00 °C.
Pounds per Gallon - (est).: 7.648 to 7.731
Refractive Index: 1.48600 to 1.49600 @ 20.00 °C.
Boiling Point: 301.00 to 302.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 162.00 °F. TCC ( 72.22 °C. )
logP (o/w): 3.657 (est)
Soluble in:
 alcohol
 water, 2.349 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: marine
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Substantivity: 72 hour(s) at 100.00 %
 ozone citrus cloth laundered cloth
Odor Description:
at 10.00 % in dipropylene glycol.
ozone citrus clean linen
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Creatingperfume.com
Azuril (Innospec)
Odor: Ozone, fresh, citrus, clean linen, marine
Emerald Kalama Chemical
Azuril
95.0% minimum (sum of isomers)
Odor: Citrus, ozone, linen
Perfumery Laboratory
AZURIL Innospec
Odor: Fresh, ozone, marine with shades of citrus
Tadimety Aromatics
Ozuril
Odor: Citrus, Ozone, Marine
Taytonn
Azuril
Odor: Citrus, Ozone/Ozonic
The John D. Walsh Company
Azuril
 
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
 
Safety in Use Information:
Category: fragrance agents
Recommendation for marine carbonitrile usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for marine carbonitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 68084-04-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 107099
National Institute of Allergy and Infectious Diseases: Data
 3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
Chemidplus: 0068084048
 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
Chemidplus: 0021690437
 
References:
 3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 107099
Pubchem (sid): 135063039
 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 89014
Pubchem (sid): 665801
 
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
Export Tariff Code: 2926.90.0000
ChemSpider: View
 
Potential Blenders and core components note
For Odor
aldehydic
citrus carbaldehyde
FR
geranyl oxyacetaldehyde
FR
N-/i-
undecanal
FR
citrus
dimyrcetol (IFF)
FR
marine decadienal
FR
marine nitrile
FR
myrmac aldehyde
FR
orange nitrile
FR
clean
cyclododecyl formate
FR
floral
muguet carboxaldehyde
FR
ocean propanal / methyl anthranilate schiff's base
FR
fresh
decyl methyl ether
FR
decyl vinyl ether
FR
green
fresh nitrile
FR
green heptenal
FR
(Z)-3-
hexen-1-yl oxyacetaldehyde
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
hay
para-
methyl phenoxyacetaldehyde
FR
herbal
2-
cyclohexyl cyclohexanone
FR
floral nitrile
FR
marine
marine hexane
FR
marine pyridine
FR
ocean carboxaldehyde
FR
ozone propanal
FR
melon
watermelon ketone
FR
woody
marine formate
FR
woody heptene
FR
For Flavor
 
Potential Uses:
 citrusFR
 cloth clean cloths 
 floralFR
 muguet lily of the valleyFR
 ocean sea breezeFR
 ozone 
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
 azuril (IFF)
3-cyclohexene-1-carbonitrile, 3-(4-methyl-3-penten-1-yl)-
3-cyclohexene-1-carbonitrile, 3-(4-methyl-3-pentenyl)-
3-cyclohexene-1-carbonitrile,3-(4-methyl-3-pentenyl)-
isohexen-1-yl tetrahydrobenzyl nitrile
3-(4-methyl-3-pentenyl) cyclohex-3-ene-1-carbonitrile
3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile
3-(4'-methyl-3'-pentenyl)-3-cyclohexene-1-carbonitrile
3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbonitrile
3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
 ozuril
 

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