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3-ethyl-3-pentanol
3-pentanol, 3-ethyl-

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CAS Number: 597-49-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-902-0
FDA UNII: 8P2O4Y3RTC
Nikkaji Web:J69.489D
Beilstein Number:1731643
MDL:MFCD00004484
XlogP3-AA:2.10 (est)
Molecular Weight:116.20372000
Formula:C7 H16 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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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: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84500 to 0.84600 @ 20.00 °C.
Pounds per Gallon - (est).: 7.039 to 7.048
Refractive Index:1.42800 to 1.43200 @ 20.00 °C.
Boiling Point: 141.00 to 143.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.806000 mmHg @ 25.00 °C. (est)
Flash Point: 104.00 °F. TCC ( 40.00 °C. )
logP (o/w): 2.113 (est)
Soluble in:
 alcohol
 water, 1.68E+04 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Ethyl-3-pentanol
Penta International
3-ETHYL-3-PENTANOL
Santa Cruz Biotechnology
For experimental / research use only.
3-Ethyl-3-pentanol
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Ethyl-3-pentanol 98%
TCI AMERICA
For experimental / research use only.
3-Ethyl-3-pentanol >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:
subcutaneous-mouse LD50 700 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 3-ethyl-3-pentanol usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):597-49-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11702
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-ethylpentan-3-ol
Chemidplus:0000597499
RTECS:SA6780000 for cas# 597-49-9
 
References:
 3-ethylpentan-3-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11702
Pubchem (sid):134975786
 
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):Search
Export Tariff Code:2905.19.9090
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-ethyl pentan-3-ol
3-ethylpentan-3-ol
 pentan-3-ol, 3-ethyl-
3-pentanol, 3-ethyl-
 triethyl carbinol
 triethyl methanol
 triethyl methyl alcohol
 triethylcarbinol
 triethylmethanol
 
 
Notes:
None found
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