Basic information
- CAS
23959-95-7- Standard SMILES
CCCCOC(=O)CSSCC(=O)OCCCC- InChIKey
RUKRYLBUAIGWQI-UHFFFAOYSA-N- Molecular formula
- C12H22O4S2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.09595153
Names & identifiers
- Preferred name
- Dibutyl 2,2'-dithiodiacetate
- IUPAC
- butyl 2-[(2-butoxy-2-oxoethyl)disulfanyl]acetate
- English name
- dibutyl 2,2'-dithiodiacetate
- Molecular formula
- C12H22O4S2
- Molecular weight
- 294.43
Names & synonyms
Dibutyl 2,2'-dithiodiacetate23959-95-7EINECS 245-954-0DTXSID70178669NSC 1633051,1'-Dibutyl 2,2'-dithiobis[acetate]1,1'-Dibutyl 2,2'-dithiobis(acetate)RefChem:586506DTXCID80101160245-954-0DIBUTYL DITHIODIGLYCOLLATENSC677452
Show more names
Dibutyl dithioglycolateRUKRYLBUAIGWQI-UHFFFAOYSA-NDithiodiacetic acid dibutyl ester2,2'-Dithiobisacetic acid dibutyl esterAcetic acid, 2,2'-dithiobis-, 1,1'-dibutyl ester
NSC-163305Dibutyl dithiodigylcolatedibutyl 2,2'-disulfanediyldiacetatebutyl 2-[(2-butoxy-2-oxoethyl)disulfanyl]acetatedibutyl dithiodiglycolateX2MM4WR3KLSCHEMBL968169CHEMBL120738
Database identifiers
- CAS
23959-95-7- PubChem CID
- 90308
- DTXSID
DTXSID70178669- ChEMBL
CHEMBL120738- UNII
- X2MM4WR3KL
- EC Number
- 245-954-0
- Nikkaji
- J242.704D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- FDA UNII
- 2 MM4WR3KL · X2MM4WR3KL
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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