Basic information
- CAS
1003-10-7- Standard SMILES
O=C1CCCS1- InChIKey
KMSNYNIWEORQDJ-UHFFFAOYSA-N- Molecular formula
- C4H6OS
- Average molar mass
- 102.16 g/mol
- Monoisotopic mass
- 102.01393598
Overview
Dihydro-2(3H)-thiophenone is a member of tetrahydrothiophenes.
Names & identifiers
- Preferred name
- 2(3H)-Thiophenone, dihydro-
- IUPAC
- thiolan-2-one
- English name
- 4-Butyrothiolactone
- Molecular formula
- C4H6OS
- Molecular weight
- 102.15
Names & synonyms
4-ButyrothiolactoneThiolan-2-one1003-10-7Dihydro-2(3H)-thiophenonegamma-Thiobutyrolactone2(3H)-Thiophenone, dihydro-4-ThiobutyrolactoneTetrahydro-2-thiophenone2-oxotetrahydrothiopheneA3ERZ734SNNSC-54087DTXSID3061390
Show more names
γ-thiobutyrolactoneγ-Thiobutyrolactone2(3H)-dihydrothiophenoneγ-Thiobutyrolactone,4-ButyrothiolactoneG-THIOBUTYROLACTONE
FEMA NO. 4570RefChem:639606DTXCID6032510213-700-8dihydrothiophen-2(3H)-one2-OxothiolaneThiacyclopentan-2-one2-THIOPHENONE, TETRAHYDRO-
Database identifiers
- CAS
1003-10-7- PubChem CID
- 13852
- DTXSID
DTXSID3061390- ChEMBL
CHEMBL56395- ChEBI
CHEBI:89059- UNII
- A3ERZ734SN
- EC Number
- 213-700-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 69.9
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.175-1.185 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point
195.00 to 197.00 °C. @ 760.00 mm Hg
195-197 °C
Refractive Index1.518-1.528
Physical Description
Liquid
Clear colourless to yellow liquid; Burnt garlic aroma
Physicochemical properties
- Melting point
- 138 °C · 138 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information2(3H)-Thiophenone, dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XN1930000
- ridadr
- UN 3334
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2(3H)-Thiophenone, dihydro-: INACTIVE
Applications
Usesγ-Thiobutyrolactone was used to terminate the ring opening polymerization of ω-pentadecalactone to synthesize difunctional polyesters. γ-Thiobutyrolactone was used to study the mechanism of metabolism of sulphur containing heterocyclic compounds by lignin-degrading basidiomycete Coriolus versicolor.
General Descriptionγ-Thiobutyrolactone undergoes copolymerization with glycidyl phenyl ether to form poly(ester-alt-sulfide).
Suppliers50 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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