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1,2-butane diol

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CAS Number: 584-03-2Picture of molecule3D/inchi
Other(deleted CASRN):26171-83-5
ECHA EINECS - REACH Pre-Reg:209-527-2
Nikkaji Web:J46.396E
Beilstein Number:0969169
XlogP3-AA:-0.20 (est)
Molecular Weight:90.12210000
Formula:C4 H10 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:cosmetic agents
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
Physical Properties:
Appearance:colorless clear viscous liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00300 to 1.00500 @ 20.00 °C.
Pounds per Gallon - (est).: 8.356 to 8.372
Refractive Index:1.43700 to 1.44000 @ 20.00 °C.
Melting Point: -50.00 °C. @ 760.00 mm Hg
Boiling Point: 195.00 to 196.90 °C. @ 760.00 mm Hg
Boiling Point: 190.00 to 191.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.050100 mmHg @ 25.00 °C.
Vapor Density:3.1 ( Air = 1 )
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): -0.499 (est)
Soluble in:
 water, 1.00E+06 mg/L @ 25 °C (exp)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: humectants
skin conditioning
viscosity controlling agents
BOC Sciences
For experimental / research use only.
Kowa Amerian Corporation
Odor: characteristic
Use: 1,2-Butanediol is a colorless liquid that is 100% soluble in water. This substance is used to produce polyester resins and plasticizers. It’s also possible to react 1,2-butanediol with an unsaturated dicarboxylic acid for use as an unsaturated polyester resin raw material.
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,2-Butanediol 98%
For experimental / research use only.
1,2-Butanediol >98.0%(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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 16000 mg/kg
"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 207, 1986.

intraperitoneal-mouse LD50 4192 mg/kg
Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
cosmetic agents
Recommendation for 1,2-butane diol usage levels up to:
 not for fragrance use.
Recommendation for 1,2-butane diol flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):584-03-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11429
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11429
Pubchem (sid):134978451
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.39.9000
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
1,2-butanediol, (±)-
 butanediol, 1,2-
1,2-butylene glycol
alpha-butylene glycol
 ethylethylene glycol


PubMed:Excess Enthalpies of Mixing, Effect of Temperature and Composition on the Density, Viscosity and Thermodynamic Properties of Binary Systems of {Ammonium-Based Ionic Liquid + Alkanediol}
PubMed:Analysis of Eight Glycols in Serum Using LC-ESI-MS-MS.
PubMed:A comparative ultrasonic relaxation study of lower vicinal and terminal alkanediols at 298.15 K in relation to their molecular structure and hydrogen bonding.
PubMed:Hydrotreating of wheat straw in toluene and ethanol.
PubMed:Bis-butanediol-mercapturic acid (bis-BDMA) as a urinary biomarker of metabolic activation of butadiene to its ultimate carcinogenic species.
PubMed:Control of the anisotropic shape of cobalt nanorods in the liquid phase: from experiment to theory… and back.
PubMed:Effect of hydrocarbon chain length in 1,2-alkanediols on percutaneous absorption of metronidazole: toward development of a general vehicle for controlled release.
PubMed:DNA damage induced by three major metabolites of 1,3-butadiene in human hepatocyte L02 cells.
PubMed:Efficient conversion of 1,2-butanediol to (R)-2-hydroxybutyric acid using whole cells of Gluconobacter oxydans.
PubMed:The influence of alkane chain length on the skin irritation potential of 1,2-alkanediols.
PubMed:Miscibility of ionic liquids with polyhydric alcohols.
PubMed:Quantitative investigation on the metabolism of 1,3-butadiene and of its oxidized metabolites in once-through perfused livers of mice and rats.
PubMed:Effect of polyol on the structure of nonionic surfactant reverse micelles in glycerol monoisostearate/decane systems.
PubMed:Reactivity of poly-alcohols towards OH, NO3 and SO4- in aqueous solution.
PubMed:Differentiating subtle variation of weak intramolecular hydrogen bond in vicinal diols by linear infrared spectroscopy.
PubMed:Development of a physiologically based toxicokinetic model for butadiene and four major metabolites in humans: global sensitivity analysis for experimental design issues.
PubMed:The importance of 3,4-epoxy-1,2-butanediol and hydroxymethylvinyl ketone in 3-butene-1,2-diol associated mutagenicity.
PubMed:Stepwise conformational cooling towards a single isomeric state in the four internal rotors system 1,2-butanediol.
PubMed:Thermal stability of beta-lactoglobulin in the presence of aqueous solution of alcohols and polyols.
PubMed:Effect of n-hexane on the disposition and toxicity of the 1,3-butadiene metabolite 3-butene-1,2-diol.
PubMed:Metabolism of 1,3-butadiene to toxicologically relevant metabolites in single-exposed mice and rats.
PubMed:Quantification of DNA and hemoglobin adducts of 3,4-epoxy-1,2-butanediol in rodents exposed to 3-butene-1,2-diol.
PubMed:Analysis of diepoxide-specific cyclic N-terminal globin adducts in mice and rats after inhalation exposure to 1,3-butadiene.
PubMed:Stereoselective oxidation of aliphatic diols and reduction of hydroxy-ketones with galactitol dehydrogenase from Rhodobacter sphaeroides D.
PubMed:Dose responses for DNA adduct formation in tissues of rats and mice exposed by inhalation to low concentrations of 1,3-[2,3-[(14)C]-butadiene.
PubMed:Stereochemical assignment of naturally occurring 2,3-epoxy-2-methylbutanoate esters.
PubMed:Mutagenic spectrum of butadiene-derived N1-deoxyinosine adducts and N6,N6-deoxyadenosine intrastrand cross-links in mammalian cells.
PubMed:Determination of glycols in biological specimens by gas chromatography-mass spectrometry.
PubMed:Using DNA and hemoglobin adducts to improve the risk assessment of butadiene.
PubMed:First-pass metabolism of 1,3-butadiene in once-through perfused livers of rats and mice.
PubMed:Efficient oxidation of alcohols to carbonyl compounds with molecular oxygen catalyzed by N-hydroxyphthalimide combined with a Co species
PubMed:A review of the genetic and related effects of 1,3-butadiene in rodents and humans.
PubMed:Explorations of alkyl polyols as "class I" organic modifiers to adjust selectivity in micellar electrokinetic capillary chromatography.
PubMed:Molecular dosimetry of N-7 guanine adduct formation in mice and rats exposed to 1,3-butadiene.
PubMed:Aliphatic and alicyclic diols induce melanogenesis in cultured cells and guinea pig skin.
PubMed:A novel derivatization of ethylene glycol from human serum using 4-carbethoxyhexafluorobutyryl chloride for unambiguous gas chromatography-chemical ionization mass spectrometric identification and quantification.
PubMed:Simultaneous determination of alcohols and ethylene glycol in serum by packed- or capillary-column gas chromatography.
PubMed:Mutagenicity of butadiene and its epoxide metabolites: I. Mutagenic potential of 1,2-epoxybutene, 1,2,3,4-diepoxybutane and 3,4-epoxy-1,2-butanediol in cultured human lymphoblasts.
PubMed:Mutagenicity of 1,3-butadiene and its epoxide metabolites in human TK6 cells and in splenic T cells isolated from exposed B6C3F1 mice.
PubMed:Structural determinants for alcohol substrates to be oxidized to formaldehyde by rat liver microsomes.
PubMed:Determination of ethylene glycol in postmortem blood by capillary gas chromatography.
PubMed:Glass-forming tendency and stability of the amorphous state in the aqueous solutions of linear polyalcohols with four carbons. I. Binary systems water-polyalcohol.
PubMed:Fermentative degradation of polyethylene glycol by a strictly anaerobic, gram-negative, nonsporeforming bacterium, Pelobacter venetianus sp. nov.
PubMed:An improved procedure for the determination of ethylene glycol in blood.
PubMed:Hepatic microsomal metabolism of 1,3-butadiene.
PubMed:[On metabolism and distribution of 1,2-propanediol, 1,2-butanediol and 1,2,4-butanetriol in the rabbit].
None found
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