phosphoric acid, isooctyl ester, sodium salt
Basic information
- CAS
68186-56-1- Standard SMILES
CC(C)CCCCCO.O=P([O-])([O-])O.[Na+]- InChIKey
BGDGYNIAISBJHX-UHFFFAOYSA-L- Molecular formula
- C8H19NaO5P-
- Average molar mass
- 249.2 g/mol
- Monoisotopic mass
- 249.08677998
Names & identifiers
- Preferred name
- phosphoric acid, isooctyl ester, sodium salt
- IUPAC
- sodium;hydrogen phosphate;6-methylheptan-1-ol
- English name
- Phosphoric acid, isooctyl ester, sodium salt
- Molecular formula
- C8H17Na2O4P
- Molecular weight
- 254.171481
Names & synonyms
Phosphoric acid, isooctyl ester, sodium salt68186-56-1Isooctyl alcohol, phosphate, sodium saltIsooctyl phosphate, sodium saltEINECS 269-043-2Isooctyl alcohol, phosphated, sodium saltRefChem:173757269-043-2BGDGYNIAISBJHX-UHFFFAOYSA-LDTXSID301015057sodium;hydrogen phosphate;6-methylheptan-1-ol
Database identifiers
- CAS
68186-56-1- PubChem CID
- 176302
- DTXSID
DTXSID301015057- EC Number
- 269-043-2
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 97.1
Physicochemical properties
- EPA Substance Registry System
- Phosphoric acid, isooctyl ester, sodium salt (68186-56-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphoric acid, isooctyl ester, sodium salt: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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