Dibutyl methylenedithiodi(acetate)
Basic information
- CAS
14338-82-0- Standard SMILES
CCCCOC(=O)CSCSCC(=O)OCCCC- InChIKey
QCWRDNFBMVSDEY-UHFFFAOYSA-N- Molecular formula
- C13H24O4S2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.11160159
Names & identifiers
- Preferred name
- Dibutyl methylenedithiodi(acetate)
- IUPAC
- butyl 2-[(2-butoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate
- English name
- Methylenebis(thioglycolic acid di-n-butyl ester)
- Molecular formula
- C13H24O4S2
- Molecular weight
- 308.46
Names & synonyms
14338-82-0Dibutyl methylenedithiodi(acetate)Acetic acid, 2,2'-[methylenebis(thio)]bis-, dibutyl esterAcetic acid, 2,2'-[methylenebis(thio)]bis-, 1,1'-dibutyl esterDTXSID2065755EINECS 238-289-2EC 238-289-2Acetic acid, 2,2'-(methylenebis(thio))bis-, dibutyl esterAcetic acid, 2,2'-(methylenebis(thio))bis-, 1,1'-dibutyl esterRefChem:586526DTXCID7034672238-289-2
Show more names
Dibutyl MethylenebisDibutylmethylendithiodi(acetat)dibutylmethylenedithiodi(acetate)METHYLENE BIS(BUTYL THIOGLYCOLATE)DibutylMethylenebis(thioglycolate)>DI-N-BUTYL METHYLENEBIS(THIOGLYCOLATE)Methylene bis(thioglycolic acid butyl ester)Methylenebis(thioglycolic Acid Dibutyl Ester)Methylenebis(thio)bis(acetic acid butyl) esterMethylenebis-(mercaptoacetic acid butyl ester)
Dibutyl Methylenebis(thioglycolate)MFCD00027216butyl 2-[(2-butoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetateBUTYL 2-({[(2-BUTOXY-2-OXOETHYL)SULFANYL]METHYL}SULFANYL)ACETATEMETHYLENEBIS(THIOGLYCOLICACIDDI-N-BUTYLESTER)Dibutyl 2,2'-(methylenebis(sulfanediyl))diacetateDibutyl 2,2'-[methylenebis(sulfanediyl)]diacetateSCHEMBL2815450
Database identifiers
- CAS
14338-82-0- PubChem CID
- 84361
- DTXSID
DTXSID2065755- EC Number
- 238-289-2
- Nikkaji
- J38.152G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 178 °C · 178 °C / 1mmHg
- Density
- 1.09 · 1.09
- vapor pressure
- 0 Pa · 0Pa at 20℃
- refractive index
- 1.487 · 1.4870-1.4900
- Flash point
- 167 °C · 167 °C
- pka
- -5.74 · -5.74[at 20 ℃]
- form
- clear liquid
- color
- Colorless to Almost colorless
- Viscosity
- 14.46 mm2/s · 14.46mm2/s
- Water Solubility
- 14 mg/L · 14mg/L at 20℃
- LogP
- 4.27 at · 4.27 at 30℃
- EPA Substance Registry System
- 2 · Acetic acid, 2,2'-[methylenebis(thio)]bis-, dibutyl ester (14338-82-0)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411
- 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.
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Dibutyl methylenedithiodi(acetate) (EC: 238-289-2)
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2930.90.9250
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2,2'-[methylenebis(thio)]bis-, 1,1'-dibutyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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