Basic information
- CAS
2906-60-7- Standard SMILES
O=C(O)CCCSSCCCC(=O)O- InChIKey
YYSCJLLOWOUSHH-UHFFFAOYSA-N- Molecular formula
- C8H14O4S2
- Average molar mass
- 238.3 g/mol
- Monoisotopic mass
- 238.03335127
Overview
4,4'-disulfanyldibutanoic acid is an organic disulfide resulting from the formal oxidative dimerisation of 4-sulfanylbutanoic acid. It is an organic disulfide and a dicarboxylic acid. It is functionally related to a 4-sulfanylbutanoic acid. It is a conjugate acid of a 4,4'-disulfanyldibutanoate.
Names & identifiers
- Preferred name
- 4,4'-Dithiodibutyric acid
- IUPAC
- 4-(3-carboxypropyldisulfanyl)butanoic acid
- English name
- 3-Carboxypropyl disulfide
- Molecular formula
- C8H14O4S2
- Molecular weight
- 238.32
Names & synonyms
4,4'-Dithiodibutyric acid2906-60-7Butanoic acid, 4,4'-dithiobis-4,4'-disulfanediyldibutanoic acid3-Carboxypropyl disulfide4,4'-dithiodibutanoic acid5,6-dithia-decanedioic acid4,4'-disulfanyldibutanoic acidButyric acid, 4,4'-dithiodi-CHEBI:138402EINECS 220-818-3.gamma.-Carboxypropyl disulfide
Show more names
4,4'-Disulfanediyldibutyric acid4，4'-Dithiodibutyric AcidDithiodibutyricacid4,4’-dithiobis-butanoicaci4,4'-Dithiobisbutyric acid4,4'-Dithiobisbutanoic acid4,4'-DithiodibutyricAcid>
4,4'-Dithiodi-n-butyric acidDTXSID1062700.gamma.,.gamma.'-Dithiodibutyric acidRefChem:96287gamma-Carboxypropyl disulfideDTXCID2037920gamma,gamma'-Dithiodibutyric acid220-818-3
Database identifiers
- CAS
2906-60-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 108 · 108-110 °C(lit.)
- Boiling point
- 350.93 °C · 350.93°C (rough estimate)
- Density
- 1.34 · 1.340
- refractive index
- 1.495 · 1.4950 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.32 · 4.32±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C8H14O4S2/c9-7(10)3-1-5-13-14-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)
- InChIKey
- YYSCJLLOWOUSHH-UHFFFAOYSA-N
- SMILES
- S(CCCC(O)=O)SCCCC(O)=O
- CAS DataBase Reference
- 2906 · 2906-60-7(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Butanoic acid, 4,4'-dithiobis- (2906-60-7)
- UNSPSC Code
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 53 reports by companies from 4 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2930.90.4950
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 4,4'-dithiobis-: ACTIVE
Applications
Uses4,4μ-Dithiodibutyric acid can be used as: A precursor to produce novel polythioester (PTE). A reactant in the production of chemically crosslinked epoxidized natural rubber. An alternative monolayer for protein chips.
Upstream & downstream products
Downstream products
Suppliers83 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
荟达医药科技(上海)有限公司15173502222 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
浙江博美生物技术有限公司0573-82623377 18967387295 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
2 records
Compound notes
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