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3,3-dimethyl hexane
hexane, 3,3-dimethyl-

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CAS Number: 563-16-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-243-9
FDA UNII: Search
Nikkaji Web:J43.426D
MDL:MFCD00048729
XlogP3-AA:4.10 (est)
Molecular Weight:114.23146000
Formula:C8 H18
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
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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
Melting Point:-126.00 °C. @ 760.00 mm Hg
Boiling Point: 111.90 °C. @ 760.00 mm Hg
Vapor Pressure:28.600000 mmHg @ 25.00 °C.
Flash Point: 49.00 °F. TCC ( 9.30 °C. ) (est)
logP (o/w): 4.529 (est)
Soluble in:
 water, 8.576 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
3,3-Dimethylhexane
TCI AMERICA
For experimental / research use only.
3,3-Dimethylhexane >99.0%(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 3,3-dimethyl hexane usage levels up to:
 not for fragrance use.
 
Recommendation for 3,3-dimethyl hexane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11233
National Institute of Allergy and Infectious Diseases:Data
3,3-dimethylhexane
Chemidplus:0000563166
 
References:
 3,3-dimethylhexane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11233
Pubchem (sid):134978019
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
HMDB (The Human Metabolome Database):HMDB31418
FooDB:FDB003495
Export Tariff Code:2901.29.1010
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 ginseng
Search Trop Picture
 mango fruit
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 osmanthus oil
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Synonyms:
3,3-dimethylhexane
 hexane, 3,3-dimethyl-
 
 
Notes:
Constit. of the oil of Osmanthus fragrans (sweet osmanthus) and ginseng
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