ChemicalBook--->CAS DataBase List--->6290-03-5

6290-03-5

6290-03-5 Structure

6290-03-5 Structure
IdentificationMore
[Name]

(R)-(-)-1,3-Butanediol
[CAS]

6290-03-5
[Synonyms]

1,3-BUTANEDIOL, (R)
R13BG
(R)-(-)-1,3-BUTANEDIOL
(R)-1,3-BUTANEDIOL
(R)-(-)-1,3-BUTYLENE GLYCOL
(R)-(-)-1,3-DIHYDROXYBUTANE
(R)-(-)-BUTYLENE GLYCOL
(R)-(-)-1,3-Butanediol,98%
1,3-Butanediol, (3R)-
(3R)-1,3-Butanediol
[EINECS(EC#)]

228-532-0
[Molecular Formula]

C4H10O2
[MDL Number]

MFCD00064277
[Molecular Weight]

90.12
[MOL File]

6290-03-5.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to light yellow liqui
[Melting point ]

0.07°C (estimate)
[alpha ]

-31 º (c=1 in EtOH)
[Boiling point ]

107-110 °C/23 mmHg (lit.)
[density ]

1.005 g/mL at 25 °C(lit.)
[vapor density ]

3.1 (vs air)
[vapor pressure ]

0.06 mm Hg ( 20 °C)
[refractive index ]

1.44
[Fp ]

250 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform, Ethanol
[form ]

Oil
[pka]

14.83±0.20(Predicted)
[color ]

Clear Colourless
[Optical Rotation]

[α]21/D 31.0°, c = 1 in ethanol
[Water Solubility ]

Fully miscible in water.
[Sensitive ]

Hygroscopic
[BRN ]

1718944
[Cosmetics Ingredients Functions]

VISCOSITY CONTROLLING
HUMECTANT
SOLVENT
SKIN CONDITIONING
FRAGRANCE
[InChI]

1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
[InChIKey]

PUPZLCDOIYMWBV-SCSAIBSYSA-N
[SMILES]

C[C@@H](O)CCO
[LogP]

-0.9 at 25℃
[CAS DataBase Reference]

6290-03-5(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3-Butanediol, (R)-(6290-03-5)
[EPA Substance Registry System]

1,3-Butanediol, (3R)- (6290-03-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

EK0440000
[F ]

3-10
[Autoignition Temperature]

741 °F
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29053990
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

Colorless to light yellow liqui
[Uses]

(R)-(-)-1,3-Butanediol is used as a solvent for food flavoring agents and is a co-monomer used in certain polyurethane and polyester resins.
[Application]

(R)-(-)-1,3-Butanediol is a chiral reagent used in the synthesis of pharmaceuticals including the preparation of (-)-tarchonanthuslactone, a δ-lactone skeleton based compound with antiroliferative activity on cancer cell.
[Definition]

ChEBI: A butane-1,3-diol of R-configuration.
[Flammability and Explosibility]

Notclassified
[storage]

Store at -20°C
[References]

Novaes, L. et al.: ChemMedChem., 10, 1687 (2015);
Akinobu Matsuyama; Hiroaki Yamamoto; Naoki Kawada; Yoshinori Kobayashi. Industrial production of (R)-1,3-butanediol by new biocatalysts.Journal of Molecular Catalysis B: Enzymatic.2001,11(4-6), 513-521.
Naoki Ichikawa; Satoshi Sato; Ryoji Takahashi; Toshiaki Sodesawa; Harunori Fujita; Takashi Atoguchi; Akinobu Shiga. Theoretical investigation of 1,3-butanediol adsorption on an oxygen-defected CeO2(111) surface.Journal of Catalysis.2006,239(1), 13-22.
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(-)-1,3-Butanediol(6290-03-5)MS
(R)-(-)-1,3-Butanediol(6290-03-5)1HNMR
(R)-(-)-1,3-Butanediol(6290-03-5)13CNMR
(R)-(-)-1,3-Butanediol(6290-03-5)IR1
(R)-(-)-1,3-Butanediol(6290-03-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

(R)-(-)-1,3-Butanediol, 98%(6290-03-5)
[Sigma Aldrich]

6290-03-5(sigmaaldrich)
[TCI AMERICA]

(R)-(-)-1,3-Butanediol,>98.0%(GC)(6290-03-5)
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