Diethyl thiodipropionate
Basic information
- CAS
673-79-0- Standard SMILES
CCOC(=O)CCSCCC(=O)OCC- InChIKey
VCXUFKFNLUTDAX-UHFFFAOYSA-N- Molecular formula
- C10H18O4S
- Average molar mass
- 234.31 g/mol
- Monoisotopic mass
- 234.09258022
Names & identifiers
- Preferred name
- Diethyl thiodipropionate
- IUPAC
- ethyl 3-(3-ethoxy-3-oxopropyl)sulfanylpropanoate
- English name
- diethyl 3,3'-thiobispropionate
- Molecular formula
- C10H18O4S
- Molecular weight
- 234.31
Names & synonyms
673-79-0Diethyl 3,3'-thiodipropionateDiethyl thiodipropionateDiethyl 3,3'-thiobispropanoate3,3'-Thiobispropionic acid diethyl esterAW1BNJ4N9OEINECS 211-612-4NSC 42914UNII-AW1BNJ4N9ONSC-42914Propanoic acid, 3,3'-thiobis-, 1,1'-diethyl esterDTXSID1060972
Show more names
DiethylthiodipropionateDiethylthiodipropionatediethyl 3,3'-thiodipropanoate
Diethyl 4-thiaheptane-1,7-dioateRefChem:133452DTXCID9044875Propionic acid, 3,3'-thiodi-, diethyl ester (6CI,7CI,8CI)211-612-4VCXUFKFNLUTDAX-UHFFFAOYSA-Ndiethyl 3,3'-thiodipropanoateDiethyl 3,3'-thiobispropionate
Database identifiers
- CAS
673-79-0- PubChem CID
- 69603
- DTXSID
DTXSID1060972- UNII
- AW1BNJ4N9O
- EC Number
- 211-612-4
- Nikkaji
- J205.972J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 346.64 °C · 346.64°C (rough estimate)
- Density
- 1.2637 · 1.2637 (rough estimate)
- refractive index
- 1.4655 · 1.4655 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- FDA UNII
- 1 BNJ4N9O · AW1BNJ4N9O
- EPA Substance Registry System
- 3 · Diethyl 3,3'-thiodipropionate (673-79-0)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H290
- Precautionary statements
- 501 · P501-P260-P270-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
- TSCA
- TSCA listed
- HS Code
- 2930909899 · 2930909899
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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2930909899
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314-H290
- Precautionary statements
- P501-P260-P270-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3,3'-thiobis-, 1,1'-diethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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