Basic information
- CAS
5333-83-5- Standard SMILES
CCCC(=O)c1cccs1- InChIKey
YXHIINNJOGKPLF-UHFFFAOYSA-N- Molecular formula
- C8H10OS
- Average molar mass
- 154.23 g/mol
- Monoisotopic mass
- 154.04523611
Overview
1-(2-Thienyl)-1-butanone is an aromatic ketone.
Names & identifiers
- Preferred name
- 2-Butanoylthiophene
- IUPAC
- 1-thiophen-2-ylbutan-1-one
- English name
- 2-N-BUTYRYLTHIOPHENE
- Molecular formula
- C8H10OS
- Molecular weight
- 154.23
Names & synonyms
2-Butanoylthiophene1-(2-Thienyl)-1-butanone2-n-Butyrylthiophene2-Butyrylthiophene1-(2-Thienyl)butan-1-oneKetone, propyl 2-thienyl1-Butanone, 1-(2-thienyl)-n-Propyl 2-thienyl ketoneUNII-BIQ5M88OLZ1-(thien-2-yl)butanoneBIQ5M88OLZNSC-2350
Show more names
AI313195AI3 131951-(2-thienyl) butanonePropyl 2-thienyl ketone1-THIEN-2-YLBUTAN-1-ONE
EINECS 226-246-0AI3-13195DTXSID10201480NSC 23501-(THIOPHEN-2-YL)-BUTANE-1-ONERefChem:85944DTXCID10123971YXHIINNJOGKPLF-UHFFFAOYSA-N
Database identifiers
- CAS
5333-83-5- PubChem CID
- 79248
- DTXSID
DTXSID10201480- ChEBI
CHEBI:173416- UNII
- BIQ5M88OLZ
- EC Number
- 226-246-0
- Nikkaji
- J45.630F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Boiling Point242.00 to 244.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 159 · 159-160°C
- Density
- 1.09 · 1.09
- refractive index
- 1.543 · 1.5430
- Flash point
- 110 °C · >110°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Odor
- 0.01 % · at 0.01 % in propylene glycol. grilled roast beefy meaty
- Odor Type
- meaty
- BRN
- 110167 · 110167
- LogP
- 2.289 · 2.289 (est)
- CAS DataBase Reference
- 5333 · 5333-83-5(CAS DataBase Reference)
- FDA UNII
- 5 M88OLZ · BIQ5M88OLZ
- Symbol(GHS)
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Butanone, 1-(2-thienyl)-
1-Butanone, 1-(2-thienyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Upstream raw materials
Suppliers43 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…