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Basic Information
| CAS No.: | 584-03-2 |
|---|---|
| Name: | 1,2-Butanediol |
| Article Data: | 137 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H10 O2 |
| Molecular Weight: | 90.1222 |
| Synonyms: | (?à)-Butane-1,2-diol; 1,2-Butyleneglycol; 1,2-Dihydroxybutane; DL-1,2-Butanediol; NSC 24242 |
| Density: | 1.001g/cm3 |
| Melting Point: | -50 °C |
| Boiling Point: |
191-192 °C747 mm Hg(lit.) |
| Flash Point: | 93.3°C |
| Solubility: | 100-1000g/L at 25℃ |
| Appearance: | clear colorless liquid |
| Safety: | Moderately toxic by ingestion. Combustible when exposed to heat or flame. To fight fire, use alcohol foam. When heated to decomposition it emits acrid and irritating fumes. |
| PSA: | 40.46000 |
| LogP: | -0.25040 |
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Synthetic route
- 59765-97-8
4-ethyl-2-methyl-1,3-dioxolane
- 584-03-2
1,2-dihydroxybutane
Conditions
| Conditions | Yield |
|---|---|
| With water under 76.0051 - 760.051 Torr; Reflux; | 98.5% |
- 4437-85-8, 90970-72-2, 90971-04-3, 127128-77-2
1,2-butylene carbonate
A
- 67-56-1
methanol
B
- 584-03-2
1,2-dihydroxybutane
Conditions
| Conditions | Yield |
|---|---|
| With (bis[(2-diisopropylphosphino)ethyl]amine)Mn(CO)2Br; hydrogen; sodium t-butanolate In tetrahydrofuran at 120℃; under 22502.3 Torr; for 26h; Schlenk technique; Glovebox; Autoclave; | A 74% B 97% |
| With carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)-amino]ruthenium(II); potassium carbonate In isopropyl alcohol at 140℃; Glovebox; | A 94 %Chromat. B 94% |
| With [bis({2‐[bis(propan‐2‐yl)phosphanyl]ethyl})amine](bromo)(carbonyl)(hydride)iron(II); potassium tert-butylate; isopropyl alcohol In tetrahydrofuran at 140℃; for 18h; Catalytic behavior; Mechanism; Concentration; Solvent; Temperature; Reagent/catalyst; Time; Inert atmosphere; Schlenk technique; Green chemistry; | A 83 %Chromat. B 72% |
- 584-03-2
1,2-dihydroxybutane
Conditions
| Conditions | Yield |
|---|---|
| With silica gel; triethylamine In diethyl ether; Petroleum ether Substitution; Detrifluoroacetylation; | 96% |
Conditions
| Conditions | Yield |
|---|---|
| With water In N,N-dimethyl-formamide at 110℃; for 20h; | 92% |
| With water at 90℃; under 11251.1 Torr; | 92.8% |
| With water at 90℃; under 11251.1 Torr; | 92.7% |
- 4437-85-8, 90970-72-2, 90971-04-3, 127128-77-2
1,2-butylene carbonate
- 584-03-2
1,2-dihydroxybutane
Conditions
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; hydrogen; C16H18BrCoINO2 In dibutyl ether at 160℃; under 45004.5 Torr; for 20h; Sealed tube; Autoclave; | 92% |
| With ammonium bromide; ethylenediamine at 80℃; for 5h; Microwave irradiation; | > 95 %Spectr. |
- 600-15-7, 565-70-8
2-Hydroxybutanoic acid
- 584-03-2
1,2-dihydroxybutane
Conditions
| Conditions | Yield |
|---|---|
| With hydrogen In water at 119.84℃; under 7500.75 - 60006 Torr; for 2h; Catalytic behavior; Reagent/catalyst; Autoclave; Sealed tube; | 92% |
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: 1-butylene With Oxone; potassium chloride In water; acetone at 30℃; for 12h; Large scale; Stage #2: With water; potassium hydroxide at 25 - 40℃; for 4h; pH=12; Large scale; | 88% |
| With dihydrogen peroxide; tungsten(VI) oxide; acetic acid at 70℃; | |
| With formic acid; dihydrogen peroxide at -17℃; beim anschliessenden Erwaermen mit wss. Natronlauge; |
- 106-88-7
ethyloxirane
- 124-38-9
carbon dioxide
- 62-53-3
aniline
A
- 101835-17-0
5-ethyl-3-phenyl-1,3-oxazolidine-2-one
B
- 584-03-2
1,2-dihydroxybutane
Conditions
| Conditions | Yield |
|---|---|
| With C24H25N4O3(1+)*I(1-); 1,8-diazabicyclo[5.4.0]undec-7-ene at 110℃; under 3750.38 Torr; for 25h; Autoclave; | A 80% B n/a |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With hydrogen In 1,4-dioxane at 159.84℃; under 60006 Torr; for 24h; Autoclave; | A 12% B 79% |
| With hydrogen In 1,4-dioxane at 139.84℃; under 60006 Torr; for 4h; Autoclave; |
- 167354-12-3
(2R)-1-(benzyloxy)-2-butanol
- 584-03-2
1,2-dihydroxybutane
Conditions
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In ethanol | 79% |
Raw Materials
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1,2-Butanediol
Chemistry
MF: C4H10O2
MW: 90.12
EINECS: 209-527-2
mp： -50 °C
bp： 191-192 °C747 mm Hg(lit.)
density： 1.006 g/mL at 25 °C(lit.)
refractive index： n20/D 1.438(lit.)
Fp： 200 °F
CAS DataBase Reference： 584-03-2(CAS DataBase Reference)
The structure of 1,2-BUTANEDIOL is:
Toxicity Data With Reference
1、RTECS#: CAS# 584-03-2: EK0380000
2、LD50/LC50: RTECS: CAS# 584-03-2: Oral, mouse: LD50 = 3720 mg/kg;Oral, rat: LD50 = 16 gm/kg;
3、Carcinogenicity: 1,2-Butanediol - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
4、Other: The toxicological properties have not been fully investigated.
Consensus Reports
1,2-BUTANEDIOL is reported in EPA TSCA Inventory.
Safety Profile
Safety Statements： 24/25
WGK Germany： 2
RTECS： EK0380000
Moderately toxic by ingestion. Combustible when exposed to heat or flame. To fight fire, use alcohol foam. When heated to decomposition it emits acrid and irritating fumes.
WGK Germany： 2
RTECS： EK0380000
Moderately toxic by ingestion. Combustible when exposed to heat or flame. To fight fire, use alcohol foam. When heated to decomposition it emits acrid and irritating fumes.
Specification
1、Fire Fighting Measures of 1,2-BUTANEDIOL
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
2、Handling and Storage of 1,2-BUTANEDIOL
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
2、Handling and Storage of 1,2-BUTANEDIOL
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.