Butadiene sulfone

Description

Butadiene sulfone · CAS 77-79-2 · C4H6O2S. UNII Z6003L44MN. Melting Point: 147 to 149 °F (NTP, 1992); Melting Point: 64-65.5 °C; Flash Point: 235 °F (NTP, 1992).

Identification

CAS Registry Number	77-79-2
PubChem CID	6498
Molecular formula	C4H6O2S
IUPAC name	2,5-dihydrothiophene 1,1-dioxide
UNII (FDA)	Z6003L44MN

Computed Descriptors

Molecular Weight	118.16
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	118.00885060
Monoisotopic Mass	118.00885060
Topological Polar Surface Area	42.5
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Melting Point	147 to 149 °F (NTP, 1992)
Melting Point	64-65.5 °C
Flash Point	235 °F (NTP, 1992)
Flash Point	113 °C
Solubility	50 to 100 mg/mL at 61 °F (NTP, 1992)
Vapor Pressure	0.34 [mmHg]
LogP	log Kow= -1.448

Physical description & handling notes

• 3-sulfolene appears as white crystals with a pungent odor. Melting point 64-65.5 °C.
• Large Crystals
• White solid with pungent odor; [CAMEO] Off-white crystalline solid; [Alfa Aesar MSDS]
• CRYSTALS
• Decomposes (NTP, 1992)
• Decomposes

GHS Hazard Classification

Reported hazard statements	H318 (55.3%), H319 (44.7%)

Documented Uses

• Used as a specialty solvent in petroleum refining and in the manufacture of sulfolane (another solvent in petroleum refining); [HSDB]
• Petroleum Production and Refining [Category: Industry]
• 2,5-Dihydrothiophene 1,1-dioxide is used as a specialty solvent in petroleum refining and it is used during the manufacture of sulfolane which is also a solvent in petroleum refining. 1
• REACTION OF SULFUR DIOXIDE AND 1,3-BUTADIENE
• 2023: 1,000,000 - <5,000,000 lb
• 2022: 5,000,000 - <10,000,000 lb

Synonyms

3-Sulfolene; 2,5-DIHYDROTHIOPHENE 1,1-DIOXIDE; Sulfolene; beta-Sulfolene; Thiophene, 2,5-dihydro-, 1,1-dioxide; sulpholene; 2,5-dihydrothiophene-1,1-dioxide; CCRIS 569; .beta.-Sulfolene; HSDB 2903; EINECS 201-059-7; UNII-Z6003L44MN; DTXSID6021294; BRN 0107004; AI3-23457; 2,5-dihydrothiophene s,s-dioxide

Frequently Asked Questions

What are the CAS number and molecular formula of Butadiene sulfone?

CAS 77-79-2; molecular formula C4H6O2S; molecular weight — g/mol.

What other names is Butadiene sulfone known by?

3-Sulfolene, 2,5-DIHYDROTHIOPHENE 1,1-DIOXIDE, Sulfolene, beta-Sulfolene, Thiophene, 2,5-dihydro-, 1,1-dioxide, sulpholene.

Is Butadiene sulfone classified as hazardous?

Hazard statements reported: H318, H319.

What are the key physical properties of Butadiene sulfone?

Melting Point: 147 to 149 °F (NTP, 1992); Melting Point: 64-65.5 °C; Flash Point: 235 °F (NTP, 1992); Flash Point: 113 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.