(2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium
Basic information
- CAS
29820-13-1- Standard SMILES
O=C([O-])C[S-].[Ca+2]- InChIKey
QVCFQEFEMBCIOI-UHFFFAOYSA-L- Molecular formula
- C2H2CaO2S
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 129.9401413
Overview
See also: Calcium thioglycolate trihydrate (annotation moved to).
Names & identifiers
- Preferred name
- (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium
- IUPAC
- calcium 2-sulfidoacetate
- English name
- calcium sulphidoacetate
- Molecular formula
- C2H6CaO2S
- Molecular weight
- 134.21
Names & synonyms
37457-75-3(Mercaptoacetato(2-)-O,S)calciumMercaptoacetic acid, monocalcium saltCalcium, (mercaptoacetato(2-)-O,S)-(2-(Mercapto-kappaS)acetato(2-)-kappaO)calciumCalcium, (2-(mercapto-kappaS)acetato(2-)-kappaO)-Calcium, [mercaptoacetato(2-)-O,S]-RefChem:395121DTXSID601014915253-511-8Calcium thioglycolate (1:1)Calcium sulphidoacetate
Show more names
Calcium 2-sulfidoacetateCalcium S,O-thioglycolateMercaptoacetic acid/calcium,(1:1) salt
29820-13-1calcium;2-sulfidoacetateThioglycolic acid calcium saltAcetic acid, mercapto-, calcium salt (1:1)Acetic acid, 2-mercapto-, calcium salt (1:1)EINECS 249-881-5calcium sulfidoacetateC2H2CaO2S
Database identifiers
- CAS
29820-13-1、37457-75-3- PubChem CID
- 22039
- DTXSID
DTXSID00890822- EC Number
- 249-881-5、253-511-8
Properties
Computed structural properties
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 37.4
Experimental & physicochemical properties
Chemical ClassesMetals -> Organic Acids, Metal Salts
Physical DescriptionWhite powder; [GE Betz MSDS]
Physicochemical properties
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- pka
- 3.82 · 3.82[at 20 ℃]
- Water Solubility
- 54.2 g/L · 54.2g/L at 20℃
- Cosmetics Ingredients Functions
- DEPILATORY
- LogP
- -2.99 at · -2.99 at 20℃
- EPA Substance Registry System
- Acetic acid, mercapto-, calcium salt (1:1) (29820-13-1)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H290-H317-H412-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P234-P390-P404-P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
Danger
H290 (71.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: Acetic acid, mercapto-, calcium salt (1:1)
REACH registered substance: Calcium sulphidoacetate (EC: 249-881-5)
Calcium, mercaptoacetato(2-)-O,S-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Mercaptoacetate salts: Human health tier II assessment
Hazards SummaryAn irritant that causes burns to moist skin and eye; [GE Betz MSDS] See Thioglycolic acid.
Hazard Classes and Categories
Met. Corr. 1 (71.4%)
Eye irritation - category 2A
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H319-H302-H290-H317-H412-H335
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P234-P390-P404-P273-P501
Chemistry & industry
Uses & manufacturing
UsesUsed as a field test reagent; [GE Betz MSDS]
General Manufacturing Information
Acetic acid, 2-mercapto-, calcium salt (1:1): ACTIVE
Calcium, [2-(mercapto-.kappa.S)acetato(2-)-.kappa.O]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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