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2,4,4-trimethyl-1-pentanol
1-pentanol, 2,4,4-trimethyl-

Supplier Sponsors

CAS Number: 16325-63-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:240-403-0
FDA UNII: Search
Nikkaji Web:J236.211B
MDL:MFCD00004741
XlogP3-AA:2.40 (est)
Molecular Weight:130.23066000
Formula:C8 H18 O
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
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81800 @ 25.00 °C.
Refractive Index:1.42700 @ 20.00 °C.
Boiling Point: 169.34 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.500000 mmHg @ 25.00 °C. (est)
Flash Point: 140.00 °F. TCC ( 60.00 °C. )
logP (o/w): 2.450 (est)
Soluble in:
 water, 1716 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,4,4-Trimethyl-1-pentanol 95%
Santa Cruz Biotechnology
For experimental / research use only.
2,4,4-Trimethyl-1-pentanol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,4,4-Trimethyl-1-pentanol 98%
 
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-1-pentanol usage levels up to:
 not for fragrance use.
 
Recommendation for 2,4,4-trimethyl-1-pentanol 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 :85984
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2,4,4-trimethylpentan-1-ol
Chemidplus:0016325636
 
References:
 2,4,4-trimethylpentan-1-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):85984
Pubchem (sid):135042930
 
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
UM BBD:Search
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.16.0050
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
 found in nature
 
Synonyms:
1-pentanol, 2,4,4-trimethyl-
2,4,4-trimethyl pentan-1-ol
2,4,4-trimethylpentan-1-ol
 
 
Notes:
None found
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