Isopropyl Thioglycolate
Basic information
- CAS
7383-61-1- Standard SMILES
CC(C)OC(=O)CS- InChIKey
KLHDJBCAYIXOTA-UHFFFAOYSA-N- Molecular formula
- C5H10O2S
- Average molar mass
- 134.2 g/mol
- Monoisotopic mass
- 134.04015073
Overview
Based on the available data, the CIR Expert Panel concluded that ... Isopropyl 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.
Names & identifiers
- Preferred name
- Isopropyl Thioglycolate
- IUPAC
- propan-2-yl 2-sulfanylacetate
- English name
- Isopropyl thioglycolate
- Molecular formula
- C5H10O2S
- Molecular weight
- 134.2
Names & synonyms
7383-61-1ISOPROPYL THIOGLYCOLATELZ0JRQ01AVEINECS 230-956-6Acetic acid, mercapto-, isopropyl esterTHIOGLYCOLIC ACID ISOPROPYL ESTERAcetic acid, mercapto-, 1-methylethyl esterDTXSID50224330ISOPROPYL THIOGLYCOLATE [INCI]ACETIC ACID, 2-MERCAPTO-, 1-METHYLETHYL ESTERRefChem:792224DTXCID50146821
Show more names
Mercaptoacetic acid isopropyl ester6-bromo-5-fluoro-1,3-dihydroindol-7-one
propan-2-yl 2-sulfanylacetateISOPROPYLTHIOGLYCOLATEIsopropyl mercaptoacetateMFCD000220781-Methylethyl 2-mercaptoacetateAcetic acid,2-mercapto-, 1-methylethyl esterisopropyl 2-mercaptoacetateSCHEMBL589942
Database identifiers
- CAS
7383-61-1- PubChem CID
- 81864
- DTXSID
DTXSID50224330- UNII
- LZ0JRQ01AV
- EC Number
- 230-956-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.5
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Isopropyl Thioglycolate) -> CIR (Cosmetic Ingredient Review)
Physicochemical properties
- Boiling point
- 50 · 50-51 °C(Press: 10 Torr)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 8.22 · 8.22±0.10(Predicted)
- color
- Colourless
- Cosmetics Ingredients Functions
- HAIR WAVING OR STRAIGHTENING
- Cosmetic Ingredient Review (CIR)
- ISOPROPYL THIOGLYCOLATE (7383-61-1)
- LogP
- 1.488 · 1.488 (est)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 0 JRQ01AV · LZ0JRQ01AV
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity Summary
Based on the available data, the CIR Expert Panel concluded that ... Isopropyl 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.
Safe for use in cosmetics, with qualifications
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Isopropyl Thioglycolate
Applications
UsesPropan-2-yl 2-Sulfanylacetate can be used to reconstruct keratin fibers.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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