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2,4-pentane diol (mixture of isomers)
isoamylene alcohol

Supplier Sponsors

CAS Number: 625-69-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-907-5
FDA UNII: 92H536ZDXF
Nikkaji Web:J34.524E
Beilstein Number:969186
MDL:MFCD00004549
XlogP3-AA:0.10 (est)
Molecular Weight:104.14904000
Formula:C5 H12 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
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.95000 @ 25.00 °C.
Refractive Index:1.43500 @ 20.00 °C.
Boiling Point: 199.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.085000 mmHg @ 25.00 °C. (est)
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): -0.386 (est)
Soluble in:
 alcohol
 water, 8.856e+004 mg/L @ 25 °C (est)
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.
2,4-PENTANEDIOL 95%
Santa Cruz Biotechnology
For experimental / research use only.
2,4-Pentanediol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,4-Pentanediol 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:
oral-mouse LD50 5792 mg/kg
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 669, 1956.

oral-rat LD50 6860 mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Dermal Toxicity:
skin-rabbit LD50 14100 uL/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 2,4-pentane diol (mixture of isomers) usage levels up to:
 not for fragrance use.
 
Recommendation for 2,4-pentane diol (mixture of isomers) 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 :12262
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
pentane-2,4-diol
Chemidplus:0000625694
RTECS:SA0490000 for cas# 625-69-4
 
References:
 pentane-2,4-diol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12262
Pubchem (sid):134977896
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.39.5000
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:
isoamylene alcohol
2,4-amylene glycol
2,4-amyleneglycol
 pentan-2,4-diol
 pentane-2,4-diol
2,4-pentanediol
DL-2,4-pentanediol
 
 
Notes:
None found
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