1,2-Butanediol
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1,2-Butanediol
structure -
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CAS No:
584-03-2
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Formula:
C4H10O2
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Chemical Name:
1,2-Butanediol
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Synonyms:
1,2-Butanediol;1,2-Butylene glycol;1,2-Dihydroxybutane;DL-1,2-Butanediol;(±)-Butane-1,2-diol;NSC 24242;26171-83-5
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CAS No:
Description
clear colorless liquid
COLOURLESS VISCOUS LIQUID.
Butane-1,2-diol is a butanediol in which the two hydroxy groups are located at positions 1 and 2. It has a role as a metabolite. It is a butanediol and a glycol.
1,2-Butanediol Basic Attributes
90.121
90.12
209-527-2
0395
24242
1993
DTXSID6040375
CLEAR VISCOUS LIQUID
29053995
Characteristics
40.46000
-0.81
COLOURLESS VISCOUS LIQUID.
1.0023 g/cm3 @ Temp: 20 °C
-50 °C
195-196.9 °C
93.3±0.0 °C
1.438
11.10 M
0.05 mmHg
3.1 (AIR= 1)|Relative vapor density (air = 1): 3.1
1 PPM IS APPROX EQUAL TO 3.68 MG/CU & 1 MG/L IS APPROX EQUAL TO 272 PPM AT 25 °C, 760 MM HG|INDEX OF REFRACTION: 1.4378 AT 20 °C/D; SADTLER REFERENCE NUMBER: 5314 (IR, PRISM); BP 190.5 °C AT 760 MM HG; DENSITY 1.0024 AT 20 °C/4 °C; SOL IN WATER, ALCOHOL & ACETONE /DL-FORM/
390 °C
Safety Information
2
S24/25
EK0380000
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Combustible. Above 93 °C explosive vapour/air mixtures may be formed.
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 135 companies from 2 notifications to the ECHA C&L Inventory.
Moderate, when exposed to heat or flame.
Explosive limits , vol% in air: 1.8 - 15.7
ALC FOAM.
... /IF/ AGITATED OR HEATED, OR IF SKIN CONTACT IS EXTENSIVE & PROLONGED, IT IS ADVISABLE TO PROTECT PERSONNEL BY ENCLOSING PROCESS OR PROVIDING LOCAL EXHAUST VENTILATION. /GLYCOLS & DERIV/|MAIN HAZARD ASSOC WITH THESE SUBSTANCES /IS/ THAT OF INGESTION /WHICH/ CAN USUALLY BE PREVENTED BY KEEPING THEM IN PROPERLY LABELLED CONTAINERS. /GLYCOLS & DERIV/
Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Separated from incompatible materials. See Chemical Dangers. Ventilation along the floor.
No indication can be given whether a harmful concentration in the air will be reached.
The substance is irritating to the eyes. Exposure at high levels could cause lowering of consciousness. If swallowed the substance easily enters the airways and could result in aspiration pneumonitis.
NO open flames. Above 93 °C use a closed system and ventilation.
PREVENT GENERATION OF MISTS!
Use ventilation.
Protective gloves.
Wear safety spectacles.
| 1 - Materials that, under emergency conditions, can cause significant irritation.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.
An unspecified isomer of butanediol was qualitatively identified as a volatile component at 1 of 5 hazardous waste sites(1).
Toxicity
1,2-Butanediol may be released to the environment during its production, formulation and use as a solvent and chemical intermediate(1,SRC).
TERRESTRIAL FATE: 1,2-Butanediol will probably biodegrade based on a screening test of the structurally analogous 1,4-butanediol(5,SRC). According to a suggested classification scheme(3), the estimated Koc value of 17(1,2) indicates that 1,2-butanediol will be very highly mobile in soil. Based on the vapor pressure of 0.0501 mm Hg at 25 °C(4), 1,2-butanediol is expected to volatilize if spilled on dry soil surfaces(SRC).|AQUATIC FATE: Based on the estimated Henry's Law constant of 2.3X10-7 atm-cu m/mole at 25 °C(3), 1,2-butanediol is expected to be essentially nonvolatile from water. Adsorption to sediment, bioconcentration in aquatic organisms, and hydrolysis are not expected to be important fate processes for 1,2-butanediol in water systems(SRC). 1,2-Butanediol is expected to biodegrade based on a screening test for 1,4-butanediol(SRC).|ATMOSPHERIC FATE: Based on the measured vapor pressure of 0.0501 mm Hg at 25 °C(1), 1,2-butanediol is expected to exist almost entirely in the vapor phase in the ambient atmosphere(2). Vapor phase 1,2-butanediol is degraded by reaction with photochemically formed hydroxyl radicals in the ambient atmosphere; the half-life for this reaction in air can be estimated to be about 25 hours(3,SRC).
The rate constant for the vapor-phase reaction of 1,2-butanediol with photochemically produced hydroxyl radicals can be estimated from a structure activity relationship to be 1.54X10-11 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 25 hours at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Alcohols are generally resistant to hydrolysis(2) and, therefore, 1,2-butanediol would not be expected to hydrolyze in the environment(SRC).
Based on an estimated log octanol-water partition coefficient of -0.29(2) and a recommended regression-derived equation(1), the BCF for 1,2-butanediol can be estimated to be 0.35(SRC). This BCF value indicates that 1,2-butanediol will not bioconcentrate in aquatic organisms(SRC).
Based on an estimated log octanol-water partition coefficient of -0.29(2) and a recommended regression-derived equation(1), the Koc for 1,2-butanediol can be estimated to be 17(SRC). According to a suggested classification scheme(3), this Koc value indicates that 1,2-butanediol will be very highly mobile in soil(SRC).
The Henry's Law constant for 1,2-butanediol can be estimated to be 2.3X10-7 from a chemical structure estimation method(1). According to a suggested classification scheme(2), this Henry's Law constants indicates that 1,2-butanediol is essentially nonvolatile from water(SRC).
1,2-Butanediol was qualitatively identified in 1 of 7 drinking water concentrates taken from Cincinnati, OH in the late 1970s(1).
1,2-Butanediol has been identified in drinking water(1) and, therefore, the general population may be exposed to 1,2-butanediol through ingestion of contaminated drinking water(SRC). In occupational settings, workers may be exposed to 1,2-butanediol through inhalation of vapors and through eye and skin contact(SRC).|EXPOSURE WILL BE FROM DIRECT CONTACT IN HANDLING & USE. ...IT WOULD NOT SEEM THAT THE BUTANEDIOLS WOULD PRESENT ANY APPRECIABLE HANDLING HAZARDS OTHER THAN POSSIBLE EYE IRRITATION FROM CONTACT WITH THE 1,2-ISOMER.
NIOSH (NOES Survey 1981-1983) has statistically estimated that 1,821 workers are potentially exposed to 1,2-butanediol in the USA(1).
Drug Information
... EVEN WHEN EXPOSURES WERE PROLONGED AND REPEATED ... IT WAS NOT ABSORBED THROUGH THE SKIN /OF RABBITS/ IN TOXIC AMT.
... 1.0 g/kg of 1,2 butanediol /given/ intravenously during a 2-min period to rabbits ... was metabolized slowly, as shown by the fact that the blood level fell slowly and that there was only slow excretion via the urine. That which was excreted in the urine was found either as the glucuronide or unchanged. Tissue analysis showed no accumulation of 1,2-butanediol.|... Glucuronides or other metabolites /were not found/ in the urine of rabbits given 1,2-butanediol orally.
Fresh air, rest.
Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
EYE CONTACT WITH 1,2-BUTANEDIOL MAY RESULT IN CORNEAL INJURY, BUT EVEN PROLONGED SKIN CONTACT IS USUALLY INNOCOUS WITH RESPECT TO PRIMARY IRRITATION & ABSORPTION TOXICITY. NO ADVERSE EFFECTS OF VAPOR INHALATION HAVE BEEN REPORTED.
Dizziness. Drowsiness. Headache.
Redness. Pain.
1,2-Butanediol Use and Manufacturing
1,2-BUTANEDIOL IS A RELATIVELY NEW PRODUCT & IS PRODUCED COMMERCIALLY BY HYDRATION OF CORRESPONDING 1,2-BUTYLENE OXIDE IN MANNER SIMILAR TO THAT DESCRIBED FOR OTHER SIMPLE GLYCOLS.
IN INDUST AS INTERMEDIATE IN POLYESTER RESINS|Solvent and intermediate
(1977) MORE THAN 4.5X10+6 G (INCL 1,3-ISOMER)|(1979) MORE THAN 4.5X10+6 G (INCL 1,3-ISOMER)
1,2-Butanediol: ACTIVE
EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Computed Properties
Molecular Weight:90.12
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:90.068079557
Monoisotopic Mass:90.068079557
Topological Polar Surface Area:40.5
Heavy Atom Count:6
Complexity:28.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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