Basic information
- CAS
814-71-1- Standard SMILES
O=C([O-])CS.O=C([O-])CS.[Ca+2]- InChIKey
CNYFJCCVJNARLE-UHFFFAOYSA-L- Molecular formula
- C4H6CaO4S2
- Average molar mass
- 222.3 g/mol
- Monoisotopic mass
- 221.9333419
Overview
Based on the available data, the CIR Expert Panel concluded that ... Calcium Thioglycolate is safe for use in hair straighteners, permanent waves, tonics, dressings, and so forth, wave sets, other non-coloring hair products, and hair dyes and colors, as described in this safety assessment, at concentrations up to 15.2% (as Thioglycolic Acid). Hairdressers should avoid skin contact and minimize consumer skin exposure. Calcium Thioglycolate in depilatories is safe when formulated to be non-irritating under conditions of recommended use.
Names & identifiers
- Preferred name
- Calcium Thioglycolate
- IUPAC
- calcium bis(2-sulfanylacetate)
- English name
- Calcium thioglycolate
- Molecular formula
- C4H6CaO4S2
- Molecular weight
- 222.3
Names & synonyms
CALCIUM THIOGLYCOLATE814-71-1Acetic acid, mercapto-, calcium salt (2:1)EbacreamDepilCalcium thioglycollateCalcium mercaptoacetateJullyVikorCalcium bis(mercaptoacetate)Acetic acid, 2-mercapto-, calcium salt (2:1)Mercaptoacetic acid calcium derivative
Show more names
CALCIUM THIOGLYCOLATE TRIHYDRATECalcium 2-sulfanylacetateTHIOGLYCOLIC ACID CALCIUM SALT TRIHYDRATECalciumthioglycollate
DTXSID6061151J96129652NRefChem:122917Secret Dig Hair Removal FoamDTXCID5048219Secret Dig hair removal spray foamSecret Dig Hair Removal Foam SpraySecret Dig hair removal spray. foam
Database identifiers
- CAS
814-71-1- PubChem CID
- 13141
- DTXSID
DTXSID6061151- UNII
- J96129652N
- EC Number
- 212-402-5
Properties
Computed structural properties
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 37.4
Experimental & physicochemical properties
Chemical ClassesMetals -> Metals, Inorganic Compounds
Cosmetics
Cosmetic ingredients (Calcium Thioglycolate) -> CIR (Cosmetic Ingredient Review)
Depilatory; Reducing
pHpH= 11-12
Color/FormWhite, crystalline powder
Solubility
Prismatic rod crystals. Odorless or faint mercaptan odor; somewhat astringent and fetid taste. Slowly loses H2O above 95 °C, darkens at 220 °C and partially fuses with decompn at 280-290 °C. Sol in water; very slightly sol in alcohol, chloroform; practically insol in ether, petr ether, benzene. Solns readily absorb CO2 from air, percipitating CaCO3. /Trihydrate/
Physical DescriptionWhite solid; [HSDB] Faintly beige powder; [MSDSonline]
Stability/Shelf LifeSTABLE /TRIHYDRATE/
Other Experimental PropertiesWhite powder. Loses water at 100 °C. Decomposes at 250 °C. Slightly soluble in ether; insoluble in alcohol. /Trihydrate/
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
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 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 (2:1)
Acetic acid, mercapto-, calcium salt (2:1): 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 Summary
Thioglycolates are toxic by ingestion because of their alkalinity; If pH >11, see treatment for Corrosives-Alkaline. In high-dose animal studies, chronic feeding of thioglycolate salts causes thyroid hyperplasia; [HSDB] An irritant; Targets the thyroid; [MSDSonline] See Calcium.
Hazard Classes and Categories
Acute Tox. 4 (97.7%)
Eye irritation - category 2A
Safety & protection
Chemistry & industry
Uses & manufacturing
Uses
CIR ingredient: Calcium Thioglycolate
Used in hair-removal, leather-tanning, hair-waving, and wool-shearing preparations; When used as a depilatory the minimum active concentration is 7% and the optimum pH is 11.8-12; [HSDB]
Leather Tanning and Processing [Category: Industry]
Depilatory; tanning leather; hair-waving preparations
IN WOOL SHEARING
Depilatories and hair-waving preparations.
Methods of ManufacturingPrepn: Hoshall, J Assoc Offic Agr Chem 23, 727 (1940).
Formulations/Preparations
THE MININUM ACTIVE CONCN OF THIOGLYCOLIC ACID & CALCIUM THIOGLYCOLATE IN DEPILATORIES IS 5% & 7% RESPECTIVELY, & THE OPTIMUM PH IS 11.8-12.
Chemical depilatories are based on 5-6% calcium thioglycolate in a cream base (to avoid runoff) at a pH of about 12.
Household ProductsInformation on 23 consumer products that contain Calcium thioglycolate in the following categories is provided:
Use ClassificationCosmetics -> Depilatory; Reducing
General Manufacturing Information
Acetic acid, 2-mercapto-, calcium salt (2:1): ACTIVE
WOOL-SHEARING PROPERTIES OF AQ CALCIUM THIOGLYCOLATE (2.8% SOLN) WAS INCR BY 70% BY DISSOLVING IN POTASSIUM CHLORIDE-SODIUM HYDROXIDE BUFFER OF PH 12.5.
CALCIUM THIOGLYCOLATE WAS ADDED TO DEPILATORY COMPOSITION, WHILE STIRRING, TO MAKE A HOMOGENEOUS CREAM.
A DISCUSSION WITH NO REF ON DEPILATORIES IN SEMILIQUID, CREAM & POWDER FORM CONTAINING CALCIUM THIOGLYCOLATE & WITH OR WITHOUT STRONTIUM HYDROXIDE.
A DEPILATORY COMPOSITION CONTAINING CALCIUM THIOGLYCOLATE TRIHYDRATE 8.0% REMOVED THE BEARDS OF UNSHAVEN NEGRO MALES IN APPROX 6 MIN WITH NO VISIBLE SKIN IRRITATION.
For more General Manufacturing Information (Complete) data for CALCIUM THIOGLYCOLATE (6 total), please visit the HSDB record page.
Applications
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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