4-Methoxy-2-methylbenzenethiol
Basic information
- CAS
698-81-7- Standard SMILES
COc1ccc(S)c(C)c1- InChIKey
WXKKTBSADLTBPS-UHFFFAOYSA-N- Molecular formula
- C8H10OS
- Average molar mass
- 154.23 g/mol
- Monoisotopic mass
- 154.04523611
Names & identifiers
- Preferred name
- 4-Methoxy-2-methylbenzenethiol
- IUPAC
- 4-methoxy-2-methylbenzenethiol
- English name
- 4-METHOXY-2-METHYLTHIOPHENOL
- Molecular formula
- C8H10OS
- Molecular weight
- 154.23
Names & synonyms
4-methoxy-2-methylbenzenethiolRefChem:5245444-Methoxy-2-methylthiophenol698-81-74-methoxy-2-methylbenzene-1-thiolMFCD062017584-methoxy-2-methyl thiophenol4-methoxy-2-methyl-benzenethiol4-methoxythiocresol4-methoxythiocresoleSCHEMBL2911817DTXSID00374859
Show more names
Benzenethiol, 4-methoxy-2-methyl-
WXKKTBSADLTBPS-UHFFFAOYSA-NAKOS009266201DB-074234CS-0280608EN300-1262500F023081
Database identifiers
- CAS
698-81-7- PubChem CID
- 2759596
- DTXSID
DTXSID00374859- EC Number
- 675-567-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 10.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 75 °C · 75.00°C
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Light yellow to yellow Liquid
- 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
- RIDADR
- 1759 · UN1759
- HazardClass
- 8 · 8
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
- ridadr
- UN1759
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- Hazard statements
- H335-H319-H315
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
5 records
Compound notes
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