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| CAS No.: | 24621-61-2 |
|---|---|
| Name: | (S)-(+)-1,3-BUTANEDIOL |
| Molecular Structure: | |
|
|
|
| Formula: | C4H10O2 |
| Molecular Weight: | 90.1222 |
| Synonyms: | 1,3-Butanediol,(S)-;1,3-Butanediol, (S)-(+)- (8CI);(+)-(S)-1,3-Butanediol;(+)-1,3-Butanediol;(S)-1,3-Butanediol;(S)-2,4-Butanediol;D-Butane-1,3-diol; |
| EINECS: | 246-363-0 |
| Density: | 1.001 g/cm3 |
| Melting Point: | 0oC |
| Boiling Point: | 207 °C at 760 mmHg |
| Flash Point: | 121.1 °C |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 40.46000 |
| LogP: | -0.25040 |
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Chemistry
The Molecular Structure of 1,3-Butanediol,(3S)- (CAS NO.24621-61-2):
Empirical Formula: C4H10O2
Molecular Weight: 90.121
Product Categories: Chiral Compounds;Diols;chiral;Chiral Building Blocks;Simple Alcohols (Chiral);Synthetic Organic Chemistry;Chiral Building Blocks;Organic Building Blocks;Polyols;Chiral Alcohols
Appearance: Colorless to light yellow liquid
Nominal Mass: 90 Da
Average Mass: 90.121 Da
Monoisotopic Mass: 90.06808 Da
Index of Refraction: 1.437
Molar Refractivity: 23.6 cm3
Molar Volume: 89.9 cm3
Surface Tension: 37.1 dyne/cm
Density: 1.001 g/cm3
Flash Point: 121.1 °C
Enthalpy of Vaporization: 51.56 kJ/mol
Boiling Point: 207 °C at 760 mmHg
Vapour Pressure: 0.0541 mmHg at 25°C
InChI
InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
Smiles
C([C@@H](O)C)CO
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
S24/25:Avoid contact with skin and eyes
WGK Germany: 3
F: 3-10
F3: Hygroscopic
F10: Keep under argon
Specification
1,3-Butanediol,(3S)- (CAS NO.24621-61-2) is also called as (S)-(+)-Butane-1,3-diol ; (S)-(+)-1,3-butanediol ; (S)-1,3-butanediol ; (S)-(+)-1,3-butylene glycol ; (S)-(+)-1,3-dihydroxybutane ; (S)-(+)-butylene glycol ; 1,3-Butanediol, (s) ; (S)-(+)-butane-1,3-diol .