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3-methyl-1,5-pentane diol
1,5-pentanediol, 3-methyl-

Supplier Sponsors

Name:3-methylpentane-1,5-diol
CAS Number: 4457-71-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:224-709-1
FDA UNII: 88495M4HNS
Nikkaji Web:J34.907K
Beilstein Number:1697331
MDL:MFCD00039547
XlogP3:0.30 (est)
Molecular Weight:118.17598000
Formula:C6 H14 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Patents:Search
US Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Contact Materials:3-methyl-1,5-pentanediol
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 228.60 °C. @ 760.00 mm Hg (est)
Flash Point: 223.00 °F. TCC ( 106.30 °C. ) (est)
logP (o/w): -0.250 (est)
Soluble in:
 water, 2.617e+004 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.
3-Methyl-1,5-pentanediol 95%
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-1,5-pentanediol
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Methyl-1,5-pentanediol ≥98.0% (GC)
TCI AMERICA
For experimental / research use only.
3-Methyl-1,5-pentanediol >97.0%(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:
intravenous-mouse LD50 320 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01094

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 3-methyl-1,5-pentane diol usage levels up to:
 not for fragrance use.
 
Recommendation for 3-methyl-1,5-pentane diol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):4457-71-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20524
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
3-methylpentane-1,5-diol
Chemidplus:0004457710
RTECS:SA0800000 for cas# 4457-71-0
 
References:
 3-methylpentane-1,5-diol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):20524
Pubchem (sid):134985710
 
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
FDA Indirect Additives used in Food Contact Substances:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.39.9000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,5-dihydroxy-3-methylpentane
3-methyl pentane-1,5-diol
3-methyl-1,5-pentanediol
3-methylpentane-1,5-diol
1,5-pentanediol, 3-methyl-
 
 
Notes:
None found
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