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

nonane
ethylheptane

Supplier Sponsors

Name:nonane
CAS Number: 111-84-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-913-4
FDA UNII:T9W3VH6G10
Nikkaji Web:J34.957G
Beilstein Number:1696917
MDL:MFCD00009574
XlogP3:4.50 (est)
Molecular Weight:128.25840000
Formula:C9 H20
BioActivity Summary:listing
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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.71800 @ 25.00 °C.
Melting Point: -53.00 °C. @ 760.00 mm Hg
Boiling Point: 149.00 to 152.00 °C. @ 760.00 mm Hg
Boiling Point: 70.00 to 71.00 °C. @ 50.00 mm Hg
Vapor Pressure:4.633000 mmHg @ 25.00 °C. (est)
Vapor Density:4.41 ( Air = 1 )
Flash Point: 88.00 °F. TCC ( 31.11 °C. )
logP (o/w): 5.293 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 0.4058 mg/L @ 25 °C (est)
 water, 220 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:gasoline
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
n-Nonane >99.5%
Sigma-Aldrich
For experimental / research use only.
Nonane anhydrous, ≥99%
 
Safety Information:
European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 10 - Flammable.
R 20 - Harmful by inhalation.
R 53 - May cause long-term adverse effects in the aquatic wnvironment.
R 65 - Harmful: may cause lung damage if swallowed.
R 67 - Vapours may cause frowsiness and dizziness.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
 
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:
intravenous-mouse LD50 218 mg/kg
Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC50 3200 ppm/4H
Toxicology and Applied Pharmacology. Vol. 44, Pg. 53, 1978.

 
Safety in Use Information:
Category:
fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for nonane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):111-84-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8141
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1920
WGK Germany:1
nonane
Chemidplus:0000111842
EPA/NOAA CAMEO:hazardous materials
RTECS:111-84-2
 
References:
 nonane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:111-84-2
Pubchem (cid):8141
Pubchem (sid):134975356
Flavornet:111-84-2
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
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
KEGG (GenomeNet):C02445
HMDB (The Human Metabolome Database):HMDB29595
FooDB:FDB000757
Export Tariff Code:2901.10.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
grades: technical (95%); 99%; research.
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 bay laurel leaf oil
Search Trop Picture
 coriander leaf oil @ 0.36-1.28%
Data GC Search Trop Picture
 ginger oil
Search Trop Picture
 ginger rhizome
Search Trop Picture
 grapefruit oil c.p. russia @ 0.01%
Data GC Search Trop Picture
 hypericum dogonbadanicum assadi oil iran @ 2.80%
Data GC Search Trop Picture
 jambu flower oil brazil @ 0.20%
Data GC Search Trop Picture
 lecythis usitata miers. var. paraensis (ducke) r. kunth. flower oil brazil @ 1.10%
Data GC Search Trop Picture
 lime fruit
Search Trop Picture
 lime oil distilled mexico @ 0.03%
Data GC Search Trop Picture
 lime oil distilled peru @ 0.03%
Data GC Search Trop Picture
 oregano plant
Search Trop Picture
 pepper black pepper fruit
Search Trop Picture
 pepper black pepper seed
Search Trop Picture
 pittosporum spp. fruit oil malaysia @ 13.60%
Data GC Search Trop Picture
 tomato
Search Trop Picture
 witch hazel leaf oil @ 0.01%
Data GC Search Trop Picture
 
Synonyms:
 butylpentane
 ethylheptane
N-nonane
 nonyl hydride
 shellsol 140
 
 
Notes:
Present in numerous plant oils incl. olive oils Nonane is a linear alkane hydrocarbon with the chemical formula C9H20. Nonane has 35 structural isomers. (Wikipedia)
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