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2,4,4-trimethyl-2-pentene
2-pentene, 2,4,4-trimethyl-

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CAS Number: 107-40-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-488-5
FDA UNII: 548R0DU21I
Nikkaji Web:J3.613G
Beilstein Number:1719492
MDL:MFCD00008902
XlogP3-AA:3.60 (est)
Molecular Weight:112.21552000
Formula:C8 H16
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
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Google Patents:Search
US Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.72200 to 0.72300 @ 20.00 °C.
Pounds per Gallon - (est).: 6.015 to 6.023
Refractive Index:1.41500 to 1.41700 @ 20.00 °C.
Melting Point:-106.30 °C. @ 760.00 mm Hg (est)
Boiling Point: 104.90 °C. @ 760.00 mm Hg
Vapor Pressure:35.100000 mmHg @ 25.00 °C. (est)
Flash Point: 29.00 °F. TCC ( -1.67 °C. )
logP (o/w): 4.140 (est)
Soluble in:
 water, 11.91 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.
2,4,4-Trimethyl-2-pentene ≥96%
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,4,4-Trimethyl-2-pentene 99%
TCI AMERICA
For experimental / research use only.
2,4,4-Trimethyl-2-pentene >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 2,4,4-trimethyl-2-pentene usage levels up to:
 not for fragrance use.
 
Recommendation for 2,4,4-trimethyl-2-pentene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):107-40-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7869
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2,4,4-trimethylpent-2-ene
Chemidplus:0000107404
 
References:
 2,4,4-trimethylpent-2-ene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:107-40-4
Pubchem (cid):7869
Pubchem (sid):134972422
 
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
Export Tariff Code:2901.29.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Formulations/Preparations:
grade: 95%.
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
2-pentene, 2,4,4-trimethyl-
 propene, 1-tert-butyl-2-methyl-
2,4,4-trimethyl pent-2-ene
2,4,4-trimethylpent-2-ene
 
 
Notes:
None found
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