Basic information
- CAS
2550-37-0- Standard SMILES
SCC1CCCCC1- InChIKey
FWBXAOOHHILPSR-UHFFFAOYSA-N- Molecular formula
- C7H14S
- Average molar mass
- 130.25 g/mol
- Monoisotopic mass
- 130.08162162
Names & identifiers
- Preferred name
- Cyclohexylmethanethiol
- IUPAC
- cyclohexylmethanethiol
- English name
- Cyclohexylmethyl mercaptan
- Molecular formula
- C7H14S
- Molecular weight
- 130.25
Names & synonyms
Cyclohexylmethanethiol2550-37-0CyclohexanemethanethiolMethanethiol, cyclohexyl-c-C6H11CH2SHRefChem:129719845-362-8FWBXAOOHHILPSR-UHFFFAOYSA-NCyclohexylmethyl mercaptanCYCLOHEXYLMETHYLMERCAPTANHexahydrobenzyl-mercaptanSCHEMBL28825
Show more names
SCHEMBL28826SCHEMBL261899SCHEMBL1054235SCHEMBL1920225SCHEMBL1920408SCHEMBL3813682DTXSID301347296CAA55037
Database identifiers
- CAS
2550-37-0- PubChem CID
- 520209
- DTXSID
DTXSID301347296- EC Number
- 845-362-8
- Nikkaji
- J114.038H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 55.4
Physicochemical properties
- Melting point
- 63 °C · 63 °C
- Boiling point
- 187.9 · 187.9±9.0 °C(Predicted)
- Density
- 1.065 g/cm3 · 1.065 g/cm3(Temp: 25 °C)
- pka
- 10.45 · 10.45±0.10(Predicted)
- form
- liquid
- InChI
- 1S/C7H14S/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
- InChIKey
- FWBXAOOHHILPSR-UHFFFAOYSA-N
- SMILES
- SCC1CCCCC1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 301 · P301+P312+P330-P305+P351+P338
- target organs
- Respiratory system
- RIDADR
- 3334 · UN 3334
- WGK Germany
- 3 · WGK 3
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
H227 (66.7%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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. 4 (66.7%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 3334
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P312+P330-P305+P351+P338
Chemistry & industry
Suppliers9 total
Carbone Scientific CO., LTD[email protected]
溴有机公司[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
NARCHEM[email protected]
UKRORGSYN-BB[email protected]
青岛傲威化学有限公司0532-85865000 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
SIGMAALDRICH—
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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