alpha,5-Dimethyl-2-thiazolemethanol
Basic information
- CAS
40982-32-9- Standard SMILES
Cc1cnc(C(C)O)s1- InChIKey
RDESPEHLHHEDRS-UHFFFAOYSA-N- Molecular formula
- C6H9NOS
- Average molar mass
- 143.21 g/mol
- Monoisotopic mass
- 143.04048508
Names & identifiers
- Preferred name
- alpha,5-Dimethyl-2-thiazolemethanol
- IUPAC
- 1-(5-methyl-1,3-thiazol-2-yl)ethanol
- English name
- 2-Thiazolemethanol, α,5-dimethyl-
- Molecular formula
- C6H9NOS
- Molecular weight
- 143.2
Names & synonyms
40982-32-91-(5-methyl-1,3-thiazol-2-yl)ethan-1-olDTXSID901304434RefChem:555018DTXCID701734451alpha,5-Dimethyl-2-thiazolemethanol866-756-62-Thiazolemethanol, alpha,5-dimethyl-1-(5-Methylthiazol-2-yl)ethanol1-(5-methyl-1,3-thiazol-2-yl)ethanolSCHEMBL18951865I+/-,5-Dimethyl-2-thiazolemethanol
Show more names
α,5-Dimethyl-2-thiazolemethanol2-Thiazolemethanol, α,5-dimethyl-1-(5-Methylthiazol-2-yl)ethan-1-ol
AKOS012685867EN300-152395Z1136431626
Database identifiers
- CAS
40982-32-9- PubChem CID
- 46785227
- DTXSID
DTXSID901304434- EC Number
- 866-756-6
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Boiling point
- 218.5 · 218.5±23.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 13.21 · 13.21±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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