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Substance
ID:168468
Structure
Similarity
Functional Group
Text
ID:125123
1,3-Butanediol
Wikipedia.org
ID: 1,3-Butanediol
Names and Identifiers
IUPAC name
butane-1,3-diol
Synonyms
1,3-Butanediol
IUPAC Traditional name
1,3-butanediol
Registration numbers
DrugBank ID
DB02202
Unique Ingredient Identifier
3XUS85K0RA
CAS Number
107-88-0
Chemspider ID
7608
Gmelin ID
2409
2493173 (
R
)
1994384 (
S
)
MeSH Name
1,3-Butylene+glycol
Beilstein Number
1731276
1718944 (
R
)
1718943 (
S
)
CHEMBL
1231503
EC Number
203-529-7
Wikipedia Title
1,3-Butanediol
CHEBI ID
52683
PubChem CID
7896
Properties
Physical Property
Auto Ignition Point
394 °C
Boiling Point
203.85 - 209.85°C (477 - 483 K)
Std molar entropy
227.2 J K
-1
mol
-1
Density
1.0053 g cm
-3
Apperance
Colourless liquid
Flash Point
108 °C
Melting Point
-50 - °C
Std enthalpy of combustion
-2.5022 MJ mol
-1
Refractive Index
1.44
Std enthalpy of formation
-501 kJ mol
-1
Solubility
1 kg dm
-3
in water
Vapor Pressure
8 Pa (at 20 °C)
Partition Coefficient
-0.74
Safety Information
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
GHS Signal Word
WARNING
NFPA704
1
1
0
European Hazard Symbols
Irritant (Xi)
Safety Statements
S26
,
S36
Risk Statements
R
36/37/38
RTECS
EK0440000
GHS Precautionary statements
305+351+338
GHS Hazard statements
319,413
Molecule Details
Molecular Spectra
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