2-Methyltetrahydrothiophene
Basic information
- CAS
1795-09-1- Standard SMILES
CC1CCCS1- InChIKey
AJPGNQYBSTXCJE-UHFFFAOYSA-N- Molecular formula
- C5H10S
- Average molar mass
- 102.2 g/mol
- Monoisotopic mass
- 102.05032149
Names & identifiers
- Preferred name
- 2-Methyltetrahydrothiophene
- IUPAC
- 2-methylthiolane
- English name
- 2-Methyltetrahydrothiophene
- Molecular formula
- C5H10S
- Molecular weight
- 102.2
Names & synonyms
2-Methyltetrahydrothiophene2-Methylthiolane2-MethylthiacyclopentaneThiophene, tetrahydro-2-methyl-TETRAHYDRO-2-METHYLTHIOPHENE2-MethylthiophaneUNII-K290J6114QEINECS 217-270-2K290J6114QTetrahydrothiophene, 2-methyl-RefChem:88396(+-)-2-METHYLTHIOLANE
Show more names
thiophene,tetrahydro-2-methyl-2-methylthia-cyclopentanemethyltetrahydrothiopheneTetrahydro-2-methylthiophenetrahydrothiophene, 2-methyl-
2-METHYLTETRAHYDROTHIOPHENE, (+-)-AJPGNQYBSTXCJE-UHFFFAOYSA-N1795-09-1MFCD00015539Thiophene, tetrahydromethyl-2-methylthi-olaneSCHEMBL782662-methyl-tetrahydro-thiophene
Database identifiers
- CAS
1795-09-1- PubChem CID
- 15711
- DTXSID
DTXSID20870909- UNII
- K290J6114Q
- EC Number
- 217-270-2
- Nikkaji
- J43.504J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 43.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -100.7 ℃ · -100.7℃
- Boiling point
- 132 °C · 132°C
- Density
- 0 · 0,96 g/cm3
- refractive index
- 1.5073 · 1.5073 (589.3 nm 20℃)
- Flash point
- 132 °C · 132°C
- form
- Liquid
- Specific Gravity
- 0.96 · 0.96
- color
- Colorless to Light yellow to Light orange
- LogP
- 2.146 · 2.146 (est)
- FDA UNII
- 290 J6114Q · K290J6114Q
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H226-H302-H315-H319-H335
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
Danger
H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (20%)
Safety data
- ridadr
- 1993
- hs_code
- 29349990
- risk_code
- 11-36/37/38-22-10
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 9-16-36-60-43-36/37-33-26-7
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H225-H226-H302-H315-H319-H335
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P261-P305+P351+P338-P405-P501a
Chemistry & industry
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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