1,4-Butanediol (BDO) - ≥99% , CAS No.110-63-4

CAS: 110-63-4 Cat. No.: B110391 Formula: C₄H₁₀O₂ Peso molecolare: 90.12 Beilstein Registry Number: 1633445 Numero EC: 203-786-5

QUALITÀ & PUREZZA ≥99%

Synonyms

BDO|1,4-butane diol|DIOL 14B|1.4-butanediol|1,4 butylene glycol|1.4 - butanediol|Sucol B|BU1|1,4-Butylene glycol|butane diol-1,4|butane 1,4-diol|1,4butanediol|1,4-BUTANEDIOL|1,4-butane-diol|Butan-1.4-diol|1,4-BD|Agrisynth B1D|Tetramethylene glycol|1,4-BUTANEDIOL [INCI]|1,4-BUTANEDIOL [MI]|1,4-butandiol|butane-1-4-diol|1,4- butandiol|Dabco DBO|1,4-Tetramethylene glycol|4-hydroxybutanol|Dihydroxybutane|1,4-Dihydroxybutane|Butane-1,4-diol

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifiche

Sinonimi

BDO | 1,4-butane diol | DIOL 14B | 1.4-butanediol | 1,4 butylene glycol | 1.4 - butanediol | Sucol B | BU1 | 1,4-Butylene glycol | butane diol-1,4 | butane 1,4-diol | 1,4butanediol | 1,4-BUTANEDIOL | 1,4-butane-diol | Butan-1.4-diol | 1,4-BD | Agrisynth B1D | Tetramethylene glycol | 1,4-BUTANEDIOL [INCI] | 1,4-BUTANEDIOL [MI] | 1,4-butand Mostra altro

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged,Desiccated

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488180676

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180676

Sorrisi canonici

C(CCO)CO

IUPAC Name

butane-1,4-diol

InChIKey

WERYXYBDKMZEQL-UHFFFAOYSA-N

INCHI

1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

Isomeri SMILES

C(CCO)CO

WGK Germania

1

RTECS

EK0525000

Peso molecolare

90.12

Beilstein

1633445

Reaxy-Rn

1633445

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633445&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: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• External Descriptors: a glycol

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

Obiettivi associati (umani)

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Gamma-hydroxybutyrate receptor (68 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in ether, miscible with water, soluble in ethanol, etc.
• Sensibilità: Hygroscopic
• Punto di congelamento (°C): 20 °C
• Indice di rifrazione: 1.442-1.448
• Punto di infiammabilità (°F): 273.2 °F
• Punto di infiammabilità (°C): 134℃
• Punto di ebollizione (°C): 230°C
• Punto di fusione (°C): 16°C
• Peso molecolare: 90.120 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• 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: 17.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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