Benzenepropanoic acid, beta,beta'-dithiobis-
Basic information
- CAS
63684-32-2- Standard SMILES
O=C(O)CC(SSC(CC(=O)O)c1ccccc1)c1ccccc1- InChIKey
QEUYTFJIJXIVLP-UHFFFAOYSA-N- Molecular formula
- C18H18O4S2
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.0646514
Names & identifiers
- Preferred name
- Benzenepropanoic acid, beta,beta'-dithiobis-
- IUPAC
- 3-[(2-carboxy-1-phenylethyl)disulfanyl]-3-phenylpropanoic acid
- English name
- 3,3'-DITHIOBISHYDROCINNAMIC ACID
- Molecular formula
- C18H18O4S2
- Molecular weight
- 362.47
Names & synonyms
63684-32-2Benzenepropanoic acid, beta,beta'-dithiobis-3,3'-Dithiobis(3-phenylpropionic) acidbeta,beta'-Dithiobis(dihydrocinnamic acid)EINECS 264-412-4beta,beta'-Dithiobis(hydrocinnamic acid)DTXSID60867030Benzenepropanoic acid, .beta.,.beta.'-dithiobis-RefChem:563641DTXCID10815248264-412-43-[(2-carboxy-1-phenylethyl)disulfanyl]-3-phenylpropanoic acid
Show more names
cinnamic acid disulfide3,3'-DITHIOBISHYDROCINNAMIC ACID3,3′-Dithiobis(3-phynylpropionic acidBenzenepropanoic acid, β,β'-dithiobis-beta,beta’-dithiobis-benzenepropanoicaci.beta.,.beta.’-dithiobis-Benzenepropanoicacid.beta.,.beta.’-Dithiobis(dihydrocinnamicacid)Benzenepropanoicacid,.beta.,.beta.’-dithiobis-Ilford Cibachrome Process P-3 Developer Replenisher Part C
3,3'-Dithiobis(3-phynylpropionic) acidQEUYTFJIJXIVLP-UHFFFAOYSA-NNS00054669.beta.,.beta.'-Dithiobis(hydrocinnamic acid)3,3'-disulfanediylbis(3-phenylpropanoic acid)EN300-37405678Z6276372430
Database identifiers
- CAS
63684-32-2- PubChem CID
- 64913
- DTXSID
DTXSID60867030- EC Number
- 264-412-4
- Nikkaji
- J138.312D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 145 ℃ · 145℃
- Boiling point
- 541.091 · 541.091±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.787 · 3.787±0.10(predicted)
- EPA Substance Registry System
- .beta.,.beta.'-Dithiobis(hydrocinnamic acid) (63684-32-2)
- 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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzenepropanoic acid, .beta.,.beta.'-dithiobis-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanoic acid, .beta.,.beta.'-dithiobis-: ACTIVE
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Related reactions
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Compound notes
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