1,4-Diisooctyl sulphosuccinate
Basic information
- CAS
29699-21-6- Standard SMILES
CCCCCCC(C)OC(=O)CC(C(=O)OC(C)CCCCCC)S(=O)(=O)O- InChIKey
DIDMQECWEAWNQA-UHFFFAOYSA-N- Molecular formula
- C20H38O7S
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.23382472
Names & identifiers
- Preferred name
- 1,4-Diisooctyl sulphosuccinate
- IUPAC
- 1,4-di(octan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
Names & synonyms
1,4-Diisooctyl sulphosuccinateEINECS 249-782-7RefChem:416801249-782-7SCHEMBL10172884DIDMQECWEAWNQA-UHFFFAOYSA-N
Database identifiers
- CAS
29699-21-6- PubChem CID
- 34668
- EC Number
- 249-782-7
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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