1,3-Butanediol

• Catalog Number: ACM107880
• Product Name: 1,3-Butanediol
• CAS: 107-88-0
• Category: Heterocyclic Organic Compound
• Synonyms: 1,3-Butylene glycol
• Molecular Weight: 90.12
• Molecular Formula: C4H10O2
• Boiling Point: 203-204°C(lit.)
• Melting Point: -54°C
• Flash Point: 250°F
• Density: 1.005g/mL at 25°C(lit.)
• Complexity: 29
• Defined Atom Stereocenter Count: 0
• Exact Mass: 90.0680
• Formal Charge: 0
• Heavy Atom Count: 6
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 90.0680
• Physical State: Liquid
• Rotatable Bond Count: 2
• Safety Description: 24/25
• Supplemental Hazard Statements: H319
• Symbol: GHS07
• Topological Polar Surface Area: 40.5 Ų

Custom Q&A

What is the PubChem CID of 1,3-Butanediol?

The PubChem CID of 1,3-Butanediol is 7896.

What is the molecular formula of 1,3-Butanediol?

The molecular formula of 1,3-Butanediol is C4H10O2.

What are the synonyms for 1,3-Butanediol?

The synonyms for 1,3-Butanediol include Butane-1,3-diol, 107-88-0, and Butylene glycol.

What is the molecular weight of 1,3-Butanediol?

The molecular weight of 1,3-Butanediol is 90.12 g/mol.

What is the IUPAC name of 1,3-Butanediol?

The IUPAC name of 1,3-Butanediol is butane-1,3-diol.

What is the InChIKey of 1,3-Butanediol?

The InChIKey of 1,3-Butanediol is PUPZLCDOIYMWBV-UHFFFAOYSA-N.

What is the common chemical identifier (CAS) of 1,3-Butanediol?

The common chemical identifier (CAS) of 1,3-Butanediol is 107-88-0.

What are some other identifiers for 1,3-Butanediol?

Some other identifiers for 1,3-Butanediol include UNII, ChEMBL ID, KEGG ID, and NSC Number.

What is the XLogP3-AA value of 1,3-Butanediol?

The XLogP3-AA value of 1,3-Butanediol is -0.4.