Dithiodiglycolic acid
Basic information
- CAS
505-73-7- Standard SMILES
O=C(O)CSSCC(=O)O- InChIKey
DLLMHEDYJQACRM-UHFFFAOYSA-N- Molecular formula
- C4H6O4S2
- Average molar mass
- 182.2 g/mol
- Monoisotopic mass
- 181.97075102
Names & identifiers
- Preferred name
- Dithiodiglycolic acid
- IUPAC
- 2-(carboxymethyldisulfanyl)acetic acid
- English name
- Thiodiglycolic acid
- Molecular formula
- C4H6O4S2
- Molecular weight
- 182.22
Names & synonyms
Dithiodiglycolic acid505-73-7Acetic acid, 2,2'-dithiobis-Dithiodiacetic acidDithioglycolic acid2,2'-Dithiodiacetic acidThioglycolate disulfideAcetic acid, dithiodi-NSC-540887ZZ0LAL4TIBis(carboxymethyl) disulfideDTXSID6060131
Show more names
2,2'-Disulfanediyldiacetic acidVendorsTHIODIACETIC ACIDDithioglycollicacidRARECHEM AL BO 1549DithiodiglycolicaciTHIODIGLYCOLLIC ACIDDithiobisacetic acid
NSC 540882,2'-Dithiobisacetic acidmercaptoacetic acid disulfide2,2'-Dithiodi(acetic) acidBIS(MERCAPTOACETIC ACID)2,2'-DITHIODIETHANOIC ACIDEINECS 208-019-8Acetic acid, dithiodi
Database identifiers
- CAS
505-73-7- PubChem CID
- 68164
- DTXSID
DTXSID6060131- ChEMBL
CHEMBL1611974- UNII
- 7ZZ0LAL4TI
- EC Number
- 208-019-8
- Nikkaji
- J6.226J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
CosmeticsReducing
SpringerMaterials PropertiesDensity
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 128 · 128-131 °C(lit.)
- Boiling point
- 395.6 · 395.6±27.0 °C(Predicted)
- Density
- 1 · 1,19 g/cm3
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 1 · pK1:3.32;pK2:4.29 (25°C)
- color
- White to Off-White
- Water Solubility
- very faint turbidity
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
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Thioglycolic acid and Thiodiglycolic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 13
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- AJ6475000
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2930.90.4950
- risk_code
- 34-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Reducing
General Manufacturing InformationAcetic acid, 2,2'-dithiobis-: ACTIVE
Applications
UsesThiodiglycolic acid is a major metabolite of vinyl chloride monomer and ifosfamide (an anti-cancer drug) in human urine. It is used as an analytical reagent for the detection of copper, lead, mercury and silver.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Thiodiacetic acid is a dicarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…