Basic information
- CAS
36880-33-8- Standard SMILES
CCc1ccc(C=O)s1- InChIKey
CLQXZICUPGZTPE-UHFFFAOYSA-N- Molecular formula
- C7H8OS
- Average molar mass
- 140.2 g/mol
- Monoisotopic mass
- 140.02958588
Names & identifiers
- Preferred name
- 5-Ethyl-2-thiophenecarboxaldehyde
- IUPAC
- 5-ethylthiophene-2-carbaldehyde
- English name
- 5-Ethyl-2-thiophenecarboxaldehyde
- Molecular formula
- C7H8OS
- Molecular weight
- 140.2
Names & synonyms
5-Ethylthiophene-2-carbaldehyde36880-33-85-Ethyl-2-thiophenecarboxaldehyde2-Thiophenecarboxaldehyde, 5-ethyl-EINECS 253-252-08I907X809KDTXSID2068004RefChem:535517DTXCID7039252253-252-05-ethyl-2-thiophenecarbaldehydeMFCD00143457
Show more names
AKOS B003568ART-CHEM-BB B0035685-Ethylthiophen-2-carbaldehyde5-ethyl-2-thiophenecarboxaldehyd
2-Ethyl-5-formylthiopheneUNII-8I907X809K5-ethyl-2-thiophene carboxaldehydeBIDD:GT0099SCHEMBL1583295-ethyl-thiophene-2-carbaldehyde5-Ethylthiophene-2-carboxaldehyde5-ethyl-thiophene-2-carboxaldehyde
Database identifiers
- CAS
36880-33-8- PubChem CID
- 169830
- DTXSID
DTXSID2068004- UNII
- 8I907X809K
- EC Number
- 253-252-0
- Nikkaji
- J260.692E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 65 °C · 65°C
- Boiling point
- 65 °C2 · 65 °C2 mm Hg(lit.)
- Density
- 1.12 g/mL · 1.12 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.57(lit.)
- FLAVIS Number
- 15.074 · 15.074 | 5-Ethylthiophene-2-carbaldehyde
- Flash point
- 229 °F · 229 °F
- storage temp.
- Refrigerator
- Odor
- 0.1 % · at 0.10 % in propylene glycol. like benzaldehyde
- Appearance
- Light yellow to yellow Liquid
- Odor Type
- fruity
- Sensitive
- Air Sensitive
- BRN
- 108539 · 108539
- InChI
- 1S/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (98.9%): 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 92 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Thiophenecarboxaldehyde, 5-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98.9%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Thiophenecarboxaldehyde, 5-ethyl-: ACTIVE
Applications
Uses5-Ethyl-2-thiophenecarboxaldehyde may be used in the preparation of 6-(butylamino)-2-(5-ethylthiophen-2-yl)-3-(4-fluorobenzyl)-2,3-dihydroquinazolin-4(1H)-one.
General Description5-Ethyl-2-thiophenecarboxaldehyde is an alkyl derivative of thiophenecarboxaldehyde. Its standard molar enthalpies of combustion and vaporization have been evaluated.
Upstream & downstream products
Upstream raw materials
Related reactions
24 records
Compound notes
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