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(E)-9-undecene nitrile

fragrance agents
2D:
3D:
CAS Number: 131379-26-5
FDA UNII: Search
Category: fragrance agents
IUPAC Name: (E)-9-undecene nitrile
InChI : InChI=1/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3H,4-10H2,1H3/b3-2+
Std.InChI: InChI=1S/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3H,4-10H2,1H3/b3-2+
InChIKey : RPLWLQJSZFPHGM-NSCUHMNNBR
Std.InChIKey: RPLWLQJSZFPHGM-NSCUHMNNSA-N
SMILES : C/C=C/CCCCCCCC#N
Molar Refractivity : 52.98 ± 0.3 cm3 (est)
Parachor : 465.2 ± 4.0 cm3 (est)
Index of Refraction : 1.450 ± 0.02 (est)
Surface Tension : 31.0 ± 3.0 dyne/cm (est)
Density : 0.838 ± 0.06 g/cm3 (est)
Polarizability : 21.00 ± 0.5 10-24cm3 (est)
Fragrance Demo Formulas

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:Search
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Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search

Physical Properties:

Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 272.00 to 273.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.006000 mmHg @ 25.00 °C. (est)
Flash Point: 254.00 °F. TCC ( 123.33 °C. )
logP (o/w): 3.817 (est)
Soluble in:
alcohol
water, 12 mg/L @ 25 °C (est)
Insoluble in:
water

Cosmetic Information:

None found

Suppliers:

None found

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (E)-9-undecene nitrile flavor usage levels up to:
not for flavor use.

Safety References:

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):131379-26-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :22713151
National Institute of Allergy and Infectious Diseases:Data
(E)-undec-9-enenitrile
Chemidplus:0131379265

References:

(E)-undec-9-enenitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22713151
Pubchem (sid):135271997

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
ChemSpider:View

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

not found in nature

Synonyms:

floridile
(9E)-undec-9-enenitrile
(E)-undec-9-enenitrile
trans-9-undecene nitrile
(9E)-9-undecenenitrile
(E)-9-undecenenitrile
9E-undecenenitrile
9-undecenenitrile, (9E)-
(9E)-9-undecenonitrile

Articles:

None found yet. Try the PubMed Search.
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EU/US Properties EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles
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