Basic information
- CAS
3085-45-8- Standard SMILES
O=S(CCO)CCO- InChIKey
XHKPPUVICXLDRJ-UHFFFAOYSA-N- Molecular formula
- C4H10O3S
- Average molar mass
- 138.19 g/mol
- Monoisotopic mass
- 138.03506535
Names & identifiers
- Preferred name
- Thiodiglycol sulfoxide
- IUPAC
- 2-(2-hydroxyethylsulfinyl)ethanol
- English name
- Thiodiglycol sulfoxide
- Molecular formula
- C4H10O3S
- Molecular weight
- 138.19
Names & synonyms
3085-45-8THIODIGLYCOL SULFOXIDEETHANOL, 2,2'-SULFINYLBIS-DTXSID30184862RefChem:453947DTXCID701073532,2'-Sulfinyldiethanol2-(2-hydroxyethanesulfinyl)ethan-1-ol2-(2-hydroxyethylsulfinyl)ethanolbeta,beta'-Dihydroxydiethyl sulphoxideBRN 1749705AI3-07250
Show more names
AIDS018246CBI-BB ZERO/0014782,2’-sulfinylbis-ethanoBIS(2-HYDROXYETHYL)SULFOXIDEThiodiglycol sulfoxide solution
2,2'-Sulfinyldi(ethan-1-ol)4-01-00-02437 (Beilstein Handbook Reference)MFCD000206111-[(2-hydroxyethyl)sulfinyl]ethan-2-olSulfinyldiethanol2,2'-Sulfinyldiethanol; Beta,beta'-Dihydroxydiethyl sulphoxide; ethanol, 2,2'sulfinylbis-;thiodiethanol-S-oxideSCHEMBL711303
Database identifiers
- CAS
3085-45-8- PubChem CID
- 18330
- DTXSID
DTXSID30184862- EC Number
- 848-255-4
- Nikkaji
- J32.966E
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.7
Physicochemical properties
- Melting point
- 111 °C · 111 °C
- Boiling point
- 434.3 · 434.3±30.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 13.61 · 13.61±0.10(Predicted)
- color
- White to Off-White
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- F,T
- Risk Statements
- 11 · 11-23/24/25-39/23/24/25
- Safety Statements
- 7 · 7-16-36/37-45
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 3 reports by companies from 3 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
- Toxicity
- mouse,LD50,intraperitoneal,3gm/kg (3000mg/kg),International Journal of Radiation Biology and Related Studies in Physics, Chemistry and Medicine. Vol. 3, Pg. 41, 1961.
- risk_code
- 11-23/24/25-39/23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2,2''-Sulfinyldiethanol is an important metabolite and degrdation product of sulfur mustard.
Suppliers7 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…