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2,2,4-trimethyl-1,3-pentane diol
pentane-1,3-diol, 2,2,4-trimethyl-

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Name:2,2,4-trimethylpentane-1,3-diol
CAS Number: 144-19-4Picture of molecule3D/inchi
Other(deleted CASRN):127894-68-2
ECHA EINECS - REACH Pre-Reg:205-619-1
FDA UNII: WT1X081P0L
Nikkaji Web:J12.976C
Beilstein Number:1698098
MDL:MFCD00004681
XlogP3-AA:1.40 (est)
Molecular Weight:146.22986000
Formula:C8 H18 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:solvents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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PubMed:Search
NCBI:Search
FDA Mainterm (IAUFC):144-19-4 ; 2,2,4-TRIMETHYL-1,3-PENTANEDIOL
 
Physical Properties:
Appearance:white solid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 46.00 to 55.00 °C. @ 760.00 mm Hg
Boiling Point: 220.00 to 235.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.011000 mmHg @ 25.00 °C. (est)
Flash Point: 235.00 °F. TCC ( 113.00 °C. )
logP (o/w): 1.240
Soluble in:
 alcohol
 water, 19000 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: solvents
 
Suppliers:
Eastman Chemical
TMPD Glycol Platelets
98.6 wt % min.
OQEMA
Trimethyl Pentanediol (TMPD)
Santa Cruz Biotechnology
For experimental / research use only.
2,2,4-Trimethyl-1,3-pentanediol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,2,4-Trimethyl-1,3-pentanediol 97%
TCI AMERICA
For experimental / research use only.
2,2,4-Trimethyl-1,3-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:
oral-rat LD50 2000 mg/kg
Kodak Company Reports. Vol. 21MAY1971

oral-guinea pig LD50 2000 mg/kg
Toxicology and Applied Pharmacology. Vol. 29, Pg. 87, 1974.

intraperitoneal-mouse LD50 800 mg/kg
Toxicology and Applied Pharmacology. Vol. 29, Pg. 87, 1974.

intravenous-mouse LD50 145 mg/kg
Toxicology and Applied Pharmacology. Vol. 29, Pg. 87, 1974.

oral-mouse LD50 2200 mg/kg
Kodak Company Reports. Vol. 21MAY1971

intraperitoneal-rat LD50 800 mg/kg
Toxicology and Applied Pharmacology. Vol. 29, Pg. 87, 1974.

intravenous-rat LD50 145 mg/kg
Toxicology and Applied Pharmacology. Vol. 29, Pg. 87, 1974.

Dermal Toxicity:
skin-rabbit LD50 6300 ul/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Inhalation Toxicity:
inhalation-rat LC > 4500 mg/m3/6H
Kodak Company Reports. Vol. 21MAY1971

 
Safety in Use Information:
Category:
solvents
Recommendation for 2,2,4-trimethyl-1,3-pentane diol usage levels up to:
 not for fragrance use.
 
Recommendation for 2,2,4-trimethyl-1,3-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):144-19-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8946
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2,2,4-trimethylpentane-1,3-diol
Chemidplus:0000144194
RTECS:SA1400000 for cas# 144-19-4
 
References:
 2,2,4-trimethylpentane-1,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:144-19-4
Pubchem (cid):8946
Pubchem (sid):134974249
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.39.9000
ChemSpider:View
Formulations/Preparations:
assay (commercial grade), wt% minimum
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2,2,4-trimethyl pentane-1,3-diol
2,2,4-trimethyl-1,3-pentanediol
2,2,4-trimethylpentane-1,3-diol
1,3-pentanediol, 2,2,4-trimethyl-
2,2,4-trimethyl-1,3-pentandiol
 pentane-1,3-diol, 2,2,4-trimethyl-
 TMPD
 
 
Notes:
None found
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