EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

ethohexadiol
octylene glycol

Sponsors

Name:2-ethylhexane-1,3-diol
CAS Number: 94-96-2Picture of molecule3D/inchi
Other:1321-34-2
ECHA EINECS - REACH Pre-Reg:202-377-9
FDA UNII:M9JGK7U88V
Nikkaji Web:J4.705H
Beilstein Number:1735324
MDL:MFCD00004578
XlogP3-AA:1.30 (est)
Molecular Weight:146.22986000
Formula:C8 H18 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:solvents
 
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 Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless liquid clear oily liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93300 @ 25.00 °C.
Melting Point: -40.00 °C. @ 760.00 mm Hg
Boiling Point: 244.20 °C. @ 760.00 mm Hg
Boiling Point: 243.00 to 244.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.006000 mm/Hg @ 25.00 °C. (est)
Vapor Density:5.03 ( Air = 1 )
Flash Point: 265.00 °F. TCC ( 129.44 °C. )
logP (o/w): 1.249 (est)
Soluble in:
 alcohol
 water, 3389 mg/L @ 25 °C (est)
 water, 4.20E+04 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:none
Odor Description:at 100.00 %. odorless
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: solvents
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Ethyl-1,3-Hexanediol 95%
EMD Millipore
For experimental / research use only.
2-Ethyl-1,3-hexanediol
Santa Cruz Biotechnology
For experimental / research use only.
2-Ethyl-1,3-hexanediol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Ethyl-1,3-hexanediol 97%, Mixture of isomers
TCI AMERICA
For experimental / research use only.
2-Ethyl-1,3-hexanediol (mixture of diastereoisomers)
 
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 1400 mg/kg
Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 52, 1978.

oral-rabbit LD50 2600 mg/kg
Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 508, 1966.

oral-mouse LD50 1900 mg/kg
Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 52, 1978.

oral-guinea pig LD50 1900 ul/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948

Dermal Toxicity:
skin-rabbit LD50 2000 mg/kg
Pesticide Manual. Vol. 1, Pg. 208, 1968.

skin-guinea pig LD50 > 10 ml/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

Inhalation Toxicity:
inhalation-rat LC > 4800 ppm/8H
Union Carbide Data Sheet. Vol. 11/3/1971

 
Safety in Use Information:
Category: solvents
Recommendation for ethohexadiol usage levels up to:
 not for fragrance use.
 
Recommendation for ethohexadiol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):94-96-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7211
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-ethylhexane-1,3-diol
Chemidplus:0000094962
RTECS:MO2625000 for cas# 94-96-2
 
References:
 2-ethylhexane-1,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:94-96-2
Pubchem (cid):7211
Pubchem (sid):134971457
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C14271
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.39.9000
Haz-Map:View
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
•widely used in mixture (2 parts) with dimethyl phthalate (6 parts) & indalone (2 parts). •grades: usp (as ethohexadiol); industrial
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 solvents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 ethyl hexane diol
2-ethyl-1,3-hexane diol (mixture of isomers)
2-ethyl-1,3-hexanediol
2-ethyl-3-propyl-1,3-propanediol
2-ethylhexan-1,3-diol
2-ethylhexane-1,3-diol
2-ethylhexane-1.3-diol
 ethylhexylene glycol
1,3-hexanediol, 2-ethyl-
 octylene glycol
 
 
Notes:
insect repellent, moderately irritating to eyes, mucous membranes, but not to skin.
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