Basic information
- Standard SMILES
OCCSSCCO- InChIKey
KYNFOMQIXZUKRK-UHFFFAOYSA-N- Molecular formula
- C4H10O2S2
- Average molar mass
- 154.3 g/mol
- Monoisotopic mass
- 154.01222156
Overview
2,2'-dithiodiethanol is an organic disulfide.
Names & identifiers
- Preferred name
- Hydroxyethyl disulfide
- IUPAC
- 2-(2-hydroxyethyldisulfanyl)ethanol
- English name
- 2,2'-Dithiodiethanol
- Molecular formula
- C4H10O2S2
- Molecular weight
- 154.25
Names & synonyms
2-Hydroxyethyl disulfide1892-29-12,2'-DithiodiethanolBis(2-hydroxyethyl) disulfideEthanol, 2,2'-dithiobis-Hydroxyethyl disulfideDiethanol disulfide2-(2-hydroxyethyldisulfanyl)ethanol2-Hydroxyethane disulfide3,4-Dithia-1,6-hexanediolbeta-Hydroxyethyl disulfideETHANOL, 2,2'-DITHIODI-
Show more names
2,2'-Disulfanediylbis(ethan-1-ol)2-mercaptoethanoldisulfide2,2'-disulfanediyldiethanolusafth-9USAF th-9DITHIODIGLYCOLJACS-1892-29-1
DTXSID4044404NSC-3392045543L74BSDTXCID2024404CHEBI:43136HEDS compoundbis-(2-hydroxyethyl)-disulfideRefChem:923142
Database identifiers
- CAS
1892-29-1- PubChem CID
- 15906
- DTXSID
DTXSID4044404- ChEMBL
CHEMBL1233278- ChEBI
CHEBI:43136- UNII
- 45543L74BS
- EC Number
- 217-576-6
- Nikkaji
- J49.832G
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 37
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
DrugsPharmaceuticals -> Listed in ZINC15
Density1.261 @25 °C
Boiling Point
158-163 °C at 3.50E+00 mm Hg
160 °C @760 [mm Hg]
Melting Point25-27 °C
Physical Description
Liquid
Colorless viscous liquid with an unpleasant odor; Melting point approximately 25 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 25 · 25-27 °C (lit.)
- Boiling point
- 158 · 158-163 °C/3.5 mmHg (lit.)
- Density
- 1.261 g/mL · 1.261 g/mL at 25 °C (lit.)
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- refractive index
- 20 · n20/D 1.57(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- pka
- 14.02 · 14.02±0.10(Predicted)
- color
- Colorless to Almost colorless
- Water Solubility
- Soluble in water, ethanol, acetone, and ether.
- λmax
- 247 nm · 247nm(H2O)(lit.)
- BRN
- 1735851 · 1735851
- InChI
- 1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
- InChIKey
- KYNFOMQIXZUKRK-UHFFFAOYSA-N
- SMILES
- OCCSSCCO
- LogP
- -0.3 at · -0.3 at 19.9℃
- CAS DataBase Reference
- 1892 · 1892-29-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 45543 L74BS · 45543L74BS
- EPA Substance Registry System
- 2 · Ethanol, 2,2'-dithiobis- (1892-29-1)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318
- Precautionary statements
- 264 · P264-P270-P280-P301+P310-P305+P351+P338-P405
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T
- Risk Statements
- 25 · 25-41
- Safety Statements
- 26 · 26-39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 7525000 · KK7525000
- F
- 13 · 13
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29309099 · 29309099
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301+H311 (37.4%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]
P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 278 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanol, 2,2'-dithiobis-
Ethanol, 2,2'-dithiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-dithiobis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,2'-dithiobisethanol (EC: 217-576-6)
Ethanol, 2,2'-dithiobis-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses somnolence and ataxia in oral lethal-dose studies of rats; [RTECS] A strong eye irritant that may cause serious eye injury; Toxic by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (88.8%)
Safety & protection
Protective Action Criteria (PAC)
0.52 [mg/m3]
5.7 [mg/m3]
34 [mg/m3]
Safety data
- F
- 13
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KK7525000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29309099
- risk_code
- 25-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-39-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P264-P270-P280-P301+P310-P305+P351+P338-P405
Chemistry & industry
Uses & manufacturing
UsesReversible inactivator of aldehyde dehydrogenase. [ChemIDplus]
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2,2'-dithiobis-: ACTIVE
Applications
UsesBis(2-hydroxyethyl) disulfide is used as an intermediate in chemical research.
Upstream & downstream products
Downstream products
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
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山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
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深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
郑州盖科科技有限公司0371-63336364 17344886665 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
舟山广兴化学有限公司15698059122 15698059122 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
Additional notes
DefinitionChEBI: 2,2'-dithiodiethanol is an organic disulfide.
Related reactions
6 records
Linked notes
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