Basic information
- CAS
7779-99-9- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C.O=S(=O)(O)O- InChIKey
XXLGTHUPNRRNRQ-UHFFFAOYSA-N- Molecular formula
- C22H44O6S
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.28586029
Names & identifiers
- Preferred name
- 9-Octadecenoic acid (9Z)-, 2-methylpropyl ester, compd. with sulfuric acid
- IUPAC
- 2-methylpropyl octadec-9-enoate;sulfuric acid
- English name
- isobutyl oleate, compound with sulphuric acid
- Molecular formula
- C22H42O2.xH2O4S
- Molecular weight
- 436.65
Names & synonyms
DTXSID8064808RefChem:199284DTXCID5048007SCHEMBL7694150Einecs 231-946-4isobutyl oleate, compound with sulphuric acid2-methylpropyl (Z)-octadec-9-enoate,sulfuric acid(Z)-9-Octadecenoic acid 2-methylpropyl/sulfuric acid,(1:x)9-Octadecenoic acid (9Z)-, 2-methylpropyl ester, compd. with sulfuric acid9-Octadecenoic acid (9Z)-, 2-methylpropyl ester, compd. with sulfuric acid (1:)
Database identifiers
- CAS
7779-99-9- PubChem CID
- 82205
- DTXSID
DTXSID8064808
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- ISOBUTYL OLEATE, SULFATED
- FDA 21 CFR
- 176.17 · 176.170; 177.2800
- FDA UNII
- 7 T48912HY3 · 7T48912HY3
- EPA Substance Registry System
- 9 · 9-Octadecenoic acid (9Z)-, 2-methylpropyl ester, compd. with sulfuric acid (7779-99-9)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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