Basic information
- CAS
3287-12-5- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCC- InChIKey
IXDBUVCZCLQKJF-UHFFFAOYSA-N- Molecular formula
- C38H74O4S
- Average molar mass
- 627.1 g/mol
- Monoisotopic mass
- 626.53078201
Overview
The CIR Expert Panel concludes that Dilauryl Thiodipropionate, Thiodipropionic Acid, Dicetyl Thiodipropionate, Dimyristyl Thiodipropionate, Distearyl Thiodipropionate, and Ditridecyl Thiodipropionate are safe as cosmetic ingredients in the practices of use and concentration given in this safety assessment when formulated to be non-irritating.
Names & identifiers
- Preferred name
- Dicetyl Thiodipropionate
- IUPAC
- hexadecyl 3-(3-hexadecoxy-3-oxopropyl)sulfanylpropanoate
- English name
- dihexadecyl 3,3'-thiobispropionate
- Molecular formula
- C38H74O4S
- Molecular weight
- 627.06
Names & synonyms
Dicetyl thiodipropionate3287-12-5Propanoic acid, 3,3'-thiobis-, dihexadecyl ester62P18A9Q8NUNII-62P18A9Q8NDTXSID70629563,3'-Thiobispropanoic acid, dihexadecyl esterDIHEXADECYL THIODIPROPIONATEEINECS 221-941-5Propanoic acid, 3,3'-thiobis-, 1,1'-dihexadecyl esterDIPALMITYL 3,3'-THIODIPROPIONATEPROPIONIC ACID, 3,3'-THIODI-, DIHEXADECYL ESTER
Show more names
THIODIPROPIONICACID,DIHEXADECYLESTER3,3'-Thiobis(propionic acid hexadecyl) ester3,3'-Thiobis(propanoic acid hexadecyl) ester
1-HEXADECANOL DIESTER WITH 3,3'-THIODIPROPIONIC ACIDRefChem:133000DTXCID5038597DICETYL THIODIPROPIONATE [INCI]221-941-5Dihexadecyl 3,3'-thiobispropionatehexadecyl 3-(3-hexadecoxy-3-oxopropyl)sulfanylpropanoatedihexadecyl 3,3'-sulfanediyldipropanoate
Database identifiers
- CAS
3287-12-5- PubChem CID
- 76783
Properties
Computed structural properties
- XLogP
- 16
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 38
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 520
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Dicetyl Thiodipropionate) -> CIR (Cosmetic Ingredient Review)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 59 · 59-62 °C
- Boiling point
- 665.4 · 665.4±40.0 °C(Predicted)
- Density
- 0.926 · 0.926±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- ANTIOXIDANT
- Indirect Additives used in Food Contact Substances
- DICETYL THIODIPROPIONATE
- FDA 21 CFR
- 178.201 · 178.2010
- FDA UNII
- 62 P18A9Q8N · 62P18A9Q8N
- EPA Substance Registry System
- 3 · Propanoic acid, 3,3'-thiobis-, dihexadecyl ester (3287-12-5)
- TSCA
- TSCA listed
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
The CIR Expert Panel concludes that Dilauryl Thiodipropionate, Thiodipropionic Acid, Dicetyl Thiodipropionate, Dimyristyl Thiodipropionate, Distearyl Thiodipropionate, and Ditridecyl Thiodipropionate are safe as cosmetic ingredients in the practices of use and concentration given in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Dicetyl Thiodipropionate
General Manufacturing InformationPropanoic acid, 3,3'-thiobis-, 1,1'-dihexadecyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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