Basic information
- CAS
55511-33-6- Standard SMILES
CC1CCC2CC1(S)C2(C)C- InChIKey
YHBWJJQAGNYITO-UHFFFAOYSA-N- Molecular formula
- C10H18S
- Average molar mass
- 170.32 g/mol
- Monoisotopic mass
- 170.11292175
Names & identifiers
- Preferred name
- 2,6,6-Trimethylbicyclo[3.1.1]heptane-1-thiol
- IUPAC
- 2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiol
- English name
- 2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiol
- Molecular formula
- C10H18S
- Molecular weight
- 170.31
Names & synonyms
2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE-1-THIOLEINECS 259-684-65KME5C6TFK2,6,6-Trimethylbicyclo(3.1.1)heptane-1-thiolBicyclo(3.1.1)heptane-1-thiol, 2,6,6-trimethyl-Bicyclo[3.1.1]heptane-1-thiol, 2,6,6-trimethyl-DTXSID40866485RefChem:83048DTXCID20814767259-684-655511-33-6UNII-5KME5C6TFK
Show more names
2,6,6-Trimethylbicyclo[3.1.1]heptan-1-thiol
SCHEMBL17476386YHBWJJQAGNYITO-UHFFFAOYSA-NDB-302494NS00057442
Database identifiers
- CAS
55511-33-6- PubChem CID
- 108342
- DTXSID
DTXSID40866485- UNII
- 5KME5C6TFK
- EC Number
- 259-684-6
- Nikkaji
- J267.016J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 205.9 · 205.9±9.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 11.47 · 11.47±0.60(Predicted)
- FDA UNII
- 5 KME5C6TFK · 5KME5C6TFK
- EPA Substance Registry System
- 3.1 · Bicyclo[3.1.1]heptane-1-thiol, 2,6,6-trimethyl- (55511-33-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, 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
Regulatory InformationChemical: Bicyclo[3.1.1]heptane-1-thiol, 2,6,6-trimethyl-
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[3.1.1]heptane-1-thiol, 2,6,6-trimethyl-: ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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