2-Ethyl-5-methylthiophene
Basic information
- CAS
40323-88-4- Standard SMILES
CCc1ccc(C)s1- InChIKey
VOIVNYVBGCJFRW-UHFFFAOYSA-N- Molecular formula
- C7H10S
- Average molar mass
- 126.22 g/mol
- Monoisotopic mass
- 126.05032149
Names & identifiers
- Preferred name
- 2-Ethyl-5-methylthiophene
- IUPAC
- 2-ethyl-5-methylthiophene
- English name
- 2-Ethyl-5-methylthiophene
- Molecular formula
- C7H10S
- Molecular weight
- 126.22
Names & synonyms
2-Ethyl-5-methylthiophene40323-88-4Thiophene, 2-ethyl-5-methyl-2-Methyl-5-ethyl-thiopheneDTXSID30334522RefChem:86918DTXCID40285612609-821-4VOIVNYVBGCJFRW-UHFFFAOYSA-NMFCD000531282-ethyl-5-methyl-thiopheneYS7HWU7UX2
Show more names
5-Methyl-2-ethylthiophene2-Ethyl-5-methylthiophene ,99%
2-methyl-5-ethylthiopheneSCHEMBL961452-Ethyl-5-methylthiophene #SCHEMBL126278SCHEMBL1841034SCHEMBL2561794AKOS015897490DS-4186
Database identifiers
- CAS
40323-88-4- PubChem CID
- 520990
- DTXSID
DTXSID30334522- UNII
- YS7HWU7UX2
- EC Number
- 609-821-4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.8
Experimental & physicochemical properties
Boiling Point158.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- -68.5 °C · -68.5°C
- Boiling point
- 160.15 °C · 160.15°C
- Density
- 0.9618 · 0.9618
- refractive index
- 1.5048 · 1.5048
- storage temp.
- 2 · 2-8°C(protect from light)
- Odor
- 0.1 % · at 0.10 % in propylene glycol. sulfurous ethereal solvent fruity burnt
- Odor Type
- sulfurous
- Henry's Law Constant
- 1.2 · 1.2×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- LogP
- 3.348 · 3.348 (est)
- CAS DataBase Reference
- 40323 · 40323-88-4
- NIST Chemistry Reference
- 2 · Thiophene, 2-ethyl-5-methyl-(40323-88-4)
- Comptox DTXSID
- 30334522 · DTXSID30334522
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
This chemical does not meet GHS hazard criteria for 94.7% (89 of 94) of all reports.
Not Classified
Aggregated GHS information provided per 94 reports by companies from 3 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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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)
Thiophene, 2-ethyl-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- ridadr
- 1993
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P240-P241-P280a-P303+P361+P353-P501a
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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