1,4-Butanediol

CAS 110-63-4C4H10O2MW 90.07 g/mol

1,4-Butanediol (CAS 110-63-4) — formula C4H10O2, molecular weight 90.07 g/mol.

Product Overview

CAS Number	110-63-4
Molecular Formula	C4H10O2
Molecular Weight	90.07 g/mol
Melting Point	61 °F (NTP, 1992)
Boiling Point	446 °F at 760 mmHg (NTP, 1992)
LogP	-0.8

Technical Profile

What this product is

1,4-Butanediol is a chemical compound with CAS registry number 110-63-4 and molecular formula C4H10O2 (molecular weight 90.07 g/mol).

Identification

CAS number: 110-63-4

Its molecular formula C4H10O2 comprises 4 C, 10 H, 2 O atoms.

Also known as: 1,4-Butanediol · 1.4-丁二醇 · Polycaprolactone

Frequently Asked Questions

What is the CAS number of 1,4-Butanediol?

The CAS registry number of 1,4-Butanediol is 110-63-4.

What is the molecular formula and molecular weight of 1,4-Butanediol?

Molecular formula C4H10O2, molecular weight 90.07 g/mol.

What other names is 1,4-Butanediol known by?

It is also registered under: 1,4-Butanediol, 1.4-丁二醇, Polycaprolactone.

PubChem Public Data

Independent reference data for 1,4-Butanediol (CAS 110-63-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号	110-63-4
PubChem CID	8064
分子式	C4H10O2
分子量	90.07 g/mol
IUPAC 名称	butane-1,4-diol
InChIKey	WERYXYBDKMZEQL-UHFFFAOYSA-N
UNII（FDA）	7XOO2LE6G3
ChEBI 编号	CHEBI:41189

Computed descriptors

Molecular Weight	90.12
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	90.068079557
Monoisotopic Mass	90.068079557
Topological Polar Surface Area	40.5
Heavy Atom Count	6

Physicochemical values on record

Boiling Point	446 °F at 760 mmHg (NTP, 1992)
Boiling Point	235
Boiling Point	229.5 °C
Boiling Point	228 °C
Boiling Point	230 °C @760 [mm Hg]
Melting Point	61 °F (NTP, 1992)
Melting Point	20.1
Melting Point	20.43 °C
Melting Point	20 °C
Melting Point	16 °C

Synonyms and trade names

1,4-BUTANEDIOL; Butane-1,4-diol; 110-63-4; Tetramethylene glycol; 1,4-Butylene glycol; 1,4-Dihydroxybutane; 1,4-Tetramethylene glycol; Sucol B; Tetramethylene 1,4-diol; DIOL 14B; 1,4-BD; Agrisynth B1D; DTXSID2024666; 7XOO2LE6G3; NSC-406696; DTXCID804666

Regulatory listings held on file

法规与食品接触	FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA 21 CFR 中列出的食品接触物质清单：FCS CIR / INCI: Cosmetic ingredients (1,4-Butanediol) -> CIR (Cosmetic Ingredient Review)
GHS 通报统计	10.4% (112 / 1080)

GHS hazard classification

GHS 通报统计	10.4% (112 / 1080)
已通报的危害声明	H302 (89.6%), H336 (70.6%)

What the public record says

1.4-丁二醇的 CAS 号为 110-63-4，分子式 C4H10O2，分子量 90.07 g/mol。 UNII 7XOO2LE6G3; ChEBI 41189; InChIKey WERYXYBDKMZEQL-UHFFFAOYSA-N. Boiling Point: 446 °F at 760 mmHg (NTP, 1992); Boiling Point: 235; Boiling Point: 229.5 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

1,4-Butanediol

Product Overview

Technical Profile

What this product is

Identification

Frequently Asked Questions

PubChem Public Data

Registry identifiers across databases

Computed descriptors

Physicochemical values on record

Synonyms and trade names

Regulatory listings held on file

GHS hazard classification

What the public record says

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