Octadecanoic acid, 9,10-dihydroxy-, ammonium salt (1:1)
Basic information
- CAS
84753-04-8- Standard SMILES
CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].[NH4+]- InChIKey
VYYNBCZACIOXPU-UHFFFAOYSA-N- Molecular formula
- C18H36O4.H3N
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.28790873
Names & identifiers
- Preferred name
- Octadecanoic acid, 9,10-dihydroxy-, ammonium salt (1:1)
- IUPAC
- azanium 9,10-dihydroxyoctadecanoate
Names & synonyms
84753-04-8EINECS 283-850-7Octadecanoic acid, 9,10-dihydroxy-, monoammonium saltOctadecanoic acid, 9,10-dihydroxy-, ammonium salt (1:1)DTXSID70888650RefChem:167645DTXCID401027926Ammonium hydrogen 9,10-dihydroxysebacateammonium 9,10-dihydroxyoctadecanoate
Database identifiers
- CAS
84753-04-8- PubChem CID
- 174384
- DTXSID
DTXSID70888650- EC Number
- 283-850-7
Properties
Computed structural properties
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 250
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
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 126 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Octadecanoic acid, 9,10-dihydroxy-, monoammonium salt
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesEye Dam. 1 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 9,10-dihydroxy-, ammonium salt (1:1): ACTIVE
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Related reactions
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Compound notes
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