citgrenile
2-nonenenitrile, 3-methyl-
 
Notes:
None found
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CAS Number: 53153-66-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 258-398-9
Nikkaji Web: J1.474.035J
XlogP3-AA: 4.00 (est)
Molecular Weight: 151.25249000
Formula: C10 H17 N
NMR Predictor: Predict (works with chrome or firefox)
Category: cosmetic agents
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 231.00 to  232.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.059000 mmHg @ 25.00 °C. (est)
Flash Point: 202.00 °F. TCC ( 94.20 °C. ) (est)
logP (o/w): 3.648 (est)
Soluble in:
 water, 32.68 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
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:
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-2-nonenenitrile
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Safety Information:
Preferred SDS: View
 
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:
oral-rat LD50  1720 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 757, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 757, 1982.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: cosmetic agents
IFRA Critical Effect: Dermal sensitization
IFRA fragrance material specification:
 Should not be used such that the level in finished cosmetic products exceeds 0.2%. Based on test results showing sensitisation (Food Chemical Toxicology 20, 757 (1982)).
IFRA: View Standard
limits in the finished product for - "leave on the skin contact":
  0.2000 % Restriction.
limits in the finished product for - "wash off the skin contact":
  0.2000 % Restriction.
limits in the finished product for - "no skin contact":
  2.0000 % Restriction.
Recommendation for citgrenile usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Recommendation for citgrenile flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 53153-66-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5875646
National Institute of Allergy and Infectious Diseases: Data
SCCNFP: opinion
 (E)-3-methylnon-2-enenitrile
Chemidplus: 0053153665
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References:
 (E)-3-methylnon-2-enenitrile
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5875646
Pubchem (sid): 135003534
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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
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 citgrenile
3-methyl non-2-ene nitrile
3-methyl-2(3)-nonene nitrile
3-methyl-2(3)-nonenenitrile
(E)-3-methylnon-2-enenitrile
3-methylnon-2-enenitrile
2-nonenenitrile, 3-methyl-
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