(S)-(+)-1,3-Butanediol - ≥98%(GC) , CAS No.24621-61-2

CAS: 24621-61-2 Cat. No.: S138551 Formula: CH₃CH(OH)CH₂CH₂OH Peso molecolare: 90.12 Beilstein Registry Number: 1718943 Numero EC: 246-363-0

GRADE & PURITY ≥98%(GC)

Synonyms

J-015593 | CHEBI:52688 | A817400 | S-1,3-butanediol | (S)-(+)-1,3-Butanediol, 98% | B1160 | (S)-(+)-1,3-Butanediol | (S)-(+)-1,3-Butylene Glycol | AKOS015838960 | (3S)-butane-1,3-diol | BU2 | Q63390504 | DB02202 | EN300-6950561 | 1,3-Butanediol, (S)- | (S

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Panoramica

Chiral starting material.

Specifications

Sinonimi

J-015593 | CHEBI:52688 | A817400 | S-1,3-butanediol | (S)-(+)-1,3-Butanediol, 98% | B1160 | (S)-(+)-1,3-Butanediol | (S)-(+)-1,3-Butylene Glycol | AKOS015838960 | (3S)-butane-1,3-diol | BU2 | Q63390504 | DB02202 | EN300-6950561 | 1,3-Butanediol, (S)- | (S

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Product Line

S138551-250mg

Nomi e identificatori

Pubchem Sid

488189849

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189849

Sorrisi canonici

CC(CCO)O

IUPAC Name

(3S)-butane-1,3-diol

InChIKey

PUPZLCDOIYMWBV-BYPYZUCNSA-N

INCHI

1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1

Isomeri SMILES

C[C@@H](CCO)O

WGK Germania

3

Peso molecolare

90.12

Beilstein

1718943

Reaxy-Rn

1718945

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718945&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: butane-1,3-diol

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Indice di rifrazione: 1.44
• Rotazione specifica [α]: 30° (C=1,EtOH)
• Punto di infiammabilità (°F): 251.60℉
• Punto di infiammabilità (°C): 122°C(lit.)
• Punto di ebollizione (°C): 109 °C/14 mmHg
• Peso molecolare: 90.120 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.0681 Da
• Monoisotopic Mass: 90.0681 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1