Basic information
- CAS
86944-00-5- Standard SMILES
OC1CSCCCSC1- InChIKey
WUMSAPPXLGVSSD-UHFFFAOYSA-N- Molecular formula
- C6H12OS2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.03295735
Names & identifiers
- Preferred name
- 1,5-Dithiacyclooctan-3-ol
- IUPAC
- 1,5-dithiocan-3-ol
- English name
- 1,5-Dithiacyclooctan-3-ol
- Molecular formula
- C6H12OS2
- Molecular weight
- 164.29
Names & synonyms
1,5-Dithiacyclooctan-3-olRefChem:417305632-982-71,5-Dithiocan-3-ol86944-00-53-hydroxy-1,5-dithiacyclooctane1,5-dithiacyclooctane-3-olSCHEMBL756745DTXSID40357585WUMSAPPXLGVSSD-UHFFFAOYSA-NAKOS015913368ST50989908
Show more names
1,5-Dithiacyclooctan-3-ol technical
1,5-Dithiacyclooctan-3-ol, technical grade, 90%
Database identifiers
- CAS
86944-00-5- PubChem CID
- 854501
- DTXSID
DTXSID40357585- EC Number
- 632-982-7
- Nikkaji
- J441.052A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69.5
Physicochemical properties
- Boiling point
- 147 °C/2 · 147 °C/2 mmHg (lit.)
- Density
- 1.272 g/mL · 1.272 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.597(lit.)
- Flash point
- 113 °C · 113 °C
- pka
- 13.81 · 13.81±0.20(Predicted)
- InChI
- 1S/C6H12OS2/c7-6-4-8-2-1-3-9-5-6/h6-7H,1-5H2
- InChIKey
- WUMSAPPXLGVSSD-UHFFFAOYSA-N
- SMILES
- OC1CSCCCSC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,5-Dithiacyclooctan-3-ol forms thioether complexes with lead (II).
General Description1,5-Dithiacyclooctan-3-ol forms thioether complexes with lead (II).
Suppliers7 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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