2-Hexyldodecanoic acid
Basic information
- CAS
69848-19-7- Standard SMILES
CCCCCCCCCCC(CCCCCC)C(=O)O- InChIKey
ZIWFVPGLYAWIAV-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Names & identifiers
- Preferred name
- 2-Hexyldodecanoic acid
- IUPAC
- 2-hexyldodecanoic acid
- English name
- 2-hexyldodecanoic acid
- Molecular formula
- C18H36O2
- Molecular weight
- 284.47724
Names & synonyms
2-hexyldodecanoic acid69848-19-7DTXSID80303541RefChem:261471DTXCID10254673NSC159002SCHEMBL62931ZIWFVPGLYAWIAV-UHFFFAOYSA-NNSC-159002EN300-188916502-Hexyl-dodecansaeure
Database identifiers
- CAS
69848-19-7- PubChem CID
- 292832
- DTXSID
DTXSID80303541- EC Number
- 109-704-3
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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