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

heptane nitrile
hexyl cyanide

Supplier Sponsors

Name:heptanenitrile
CAS Number: 629-08-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-071-4
FDA UNII: UA4Z3QT98A
Nikkaji Web:J45.667E
MDL:MFCD00039503
XlogP3:2.20 (est)
Molecular Weight:111.18761000
Formula:C7 H13 N
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81100 to 0.81300 @ 20.00 °C.
Pounds per Gallon - (est).: 6.756 to 6.773
Refractive Index:1.41300 to 1.41500 @ 20.00 °C.
Melting Point: -64.00 °C. @ 760.00 mm Hg
Boiling Point: 183.00 °C. @ 760.00 mm Hg
Boiling Point: 186.00 to 187.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.726000 mmHg (est)
Flash Point: 141.00 °F. TCC ( 60.50 °C. ) (est)
logP (o/w): 2.214 (est)
Soluble in:
 alcohol
 water, 623.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Nagar Haveli Perfumes & Aromatics
Heptyl Nitrile
Sigma-Aldrich: Aldrich
For experimental / research use only.
Heptanenitrile 98%
TCI AMERICA
For experimental / research use only.
Heptanenitrile >98.0%(GC)
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for heptane nitrile usage levels up to:
 not for fragrance use.
 
Recommendation for heptane 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):629-08-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12372
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
heptanenitrile
Chemidplus:0000629083
 
References:
 heptanenitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12372
Pubchem (sid):134976227
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB008157
Export Tariff Code:2926.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 champaca concrete @ trace%
Data GC Search Trop Picture
 kohlrabi green kohlrabi
Search Trop Picture
 kohlrabi stem
Search Trop Picture
 
Synonyms:
1-cyanohexane
 enanthonitrile
 heptane-1-nitrile
 heptanenitrile
N-heptanenitrile
N-heptanoic acid nitrile
 heptanonitrile
 heptyl nitrile
 hexyl cyanide
 
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy