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octylene glycol
Notes:
insect repellent, moderately irritating to eyes, mucous membranes, but not to skin.
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| CAS Number: | 94-96-2 |  3D/inchi
|
| Other(deleted CASRN): | 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 |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| 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 mmHg @ 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 |
| Chemical Carcinogenesis Research Information System: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | 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 2011 (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 |
| ChemSpider: | View |
| Wikipedia: | 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 |