marine nitrile
cyclomugual nitrile (PFW)
 
Notes:
None found
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CAS Number: 72928-51-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 277-081-6
Nikkaji Web: J296.415E
XlogP3-AA: 2.80 (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
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Google Patents: Search
US Patents: Search
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Pubchem Patents: Search
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Physical Properties:
Appearance: pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 305.00 to  307.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 3.895 (est)
Soluble in:
 alcohol
 water, 4.681 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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Organoleptic Properties:
 
Odor Type: citrus
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
Substantivity: 16 hour(s) at 100.00 %
 
 citrus  marine  earthy  orris  
Odor Description:
at 10.00 % in dipropylene glycol. 
citrus marine earthy
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Seqens
Cyclomugual Nitrile
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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 marine nitrile usage levels up to:
  0.8000 % in the fragrance concentrate.
 
Recommendation for marine nitrile flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 72928-51-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 166374
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
Chemidplus: 0072928519
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References:
 8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 72928-51-9
Pubchem (cid): 166374
Pubchem (sid): 135120299
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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
Export Tariff Code: 2926.90.0000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 citrus carbaldehydeFR
balsamic
 bornyl formateFL/FR
dextro-fenchoneFL/FR
citrus
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
 dimyrcetol (IFF)FR
 marine decadienalFR
 orange nitrileFR
 tangerine acetateFR
 tangerine nitrileFR
earthy
2-ethyl hexyl acetateFL/FR
(Z)-4-octen-1-olFL/FR
 spathulenol 
fatty
 methyl 10-undecenoateFL/FR
floral
 dihydro-alpha-iononeFL/FR
 geranium oil moroccoFL/FR
 muguet carboxaldehydeFR
fruity
2-nonanoneFL/FR
fungal
 hydroxymethyl hexyl ethyl ketoneFL/FR
green
 rose furan epoxideFL/FR
herbal
 floral nitrileFR
 herbal ketoneFR
2-methyl-3-buten-2-olFL/FR
marine
green algae absoluteFL/FR
 marine hexaneFR
 marine pyridineFR
 ocean carboxaldehydeFR
melon
 watermelon ketoneFR
mossy
 oakmoss absoluteFL/FR
spicy
 ginger oleoresin africaFL/FR
waxy
2-tridecanoneFL/FR
woody
 marine formateFR
 patchouli oilFL/FR
 sandalwood oilFL/FR
 vetiver oil haitiFL/FR
 
For Flavor
 
No flavor group found for these
green algae absoluteFL/FR
 bornyl formateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
2-ethyl hexyl acetateFL/FR
 hydroxymethyl hexyl ethyl ketoneFL/FR
2-methyl-3-buten-2-olFL/FR
1,5-octadien-3-olFL
(Z)-4-octen-1-olFL/FR
 rose furan epoxideFL/FR
 spathulenol 
berry
 dihydro-alpha-iononeFL/FR
2-nonanoneFL/FR
cooling
dextro-fenchoneFL/FR
fatty
2-tridecanoneFL/FR
floral
 geranium oil moroccoFL/FR
green
 oakmoss absoluteFL/FR
herbal
 oregano oleoresinFL
phenolic
 propyl 2-furoateFL
spicy
 ginger oleoresin africaFL/FR
waxy
 methyl 10-undecenoateFL/FR
woody
 patchouli oilFL/FR
 sandalwood oilFL/FR
 vetiver oil haitiFL/FR
 
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Potential Uses:
 leatherFR
 powderFR
 spiceFR
 tobaccoFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 cyclomugual nitrile (PFW)
8,8-dimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalene nitrile
8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrile
8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
 marine nitrile
2-naphthalenecarbonitrile, 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-
1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl naphthalene-2-carbonitrile
1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-2-naphthalene carbonitrile
1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-2-naphthalenecarbonitrile
1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-2-naphthonitrile
1,2,3,4,5,6,7,8-octahydro-8,8-dimethylnaphthalene-2-carbonitrile
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Articles:
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