1,10-Decanedithiol
Basic information
- CAS
1191-67-9- Standard SMILES
SCCCCCCCCCCS- InChIKey
UOQACRNTVQWTFF-UHFFFAOYSA-N- Molecular formula
- C10H22S2
- Average molar mass
- 206.4 g/mol
- Monoisotopic mass
- 206.1162927
Names & identifiers
- Preferred name
- 1,10-Decanedithiol
- IUPAC
- decane-1,10-dithiol
- English name
- 1,10-Decanedithiol
- Molecular formula
- C10H22S2
- Molecular weight
- 206.41
Names & synonyms
1,10-DECANEDITHIOLDecane-1,10-dithiolNSC 9486EINECS 214-739-3BRN 1738606DTXSID10744644-01-00-02615 (Beilstein Handbook Reference)RefChem:71145DTXCID3033488214-739-3UOQACRNTVQWTFF-UHFFFAOYSA-N1191-67-9
Show more names
Decanedithiol1,10-DecanethiolDecan-1,10-dithiol1,10-Decanebisthiol1,10-didecyl mercaptan10-Mercaptodecane-1-thiol10-Mercapto-1-decanethiol
1,10-DimercaptodecaneDecane-1MFCD00022095NSC-9486NSC9486SCHEMBL515934DECAMETHYLENE DIMERCAPTANorb1705218
Database identifiers
- CAS
1191-67-9- PubChem CID
- 14494
- DTXSID
DTXSID1074464- UNII
- 5HB35X325C
- EC Number
- 214-739-3
- Nikkaji
- J150.916K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 64.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 17 °C · 17°C
- Boiling point
- 171 · 171-172°C 0,5mm
- Density
- 0 · 0,95 g/cm3
- refractive index
- 1.499 · 1.4990
- Flash point
- 171 · 171-172°C/0.5mm
- pka
- 10.19 · 10.19±0.10(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- Water Solubility
- Insoluble in water.
- Sensitive
- Air Sensitive
- BRN
- 1738606 · 1738606
- InChI
- InChI=1S/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
- InChIKey
- UOQACRNTVQWTFF-UHFFFAOYSA-N
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
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H315 (85.7%): 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)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)
Safety data
- rtecs
- HD8455000
- ridadr
- UN3334
- hs_code
- 2930.90.9250
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- 9
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1,10-Decanedithiol is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
Related reactions
2 records
Compound notes
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