Basic information
- CAS
35021-70-6- Standard SMILES
CCCCCCCCCCCCCCCCOc1ccccc1- InChIKey
FQKWHGOHXVHGMR-UHFFFAOYSA-N- Molecular formula
- C22H38O
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.29226584
Names & identifiers
- Preferred name
- Benzene, (hexadecyloxy)-
- IUPAC
- hexadecoxybenzene
Names & synonyms
Benzene, (hexadecyloxy)-35021-70-6DTXSID80403297RefChem:323179DTXCID00354151(HEXADECYLOXY)BENZENECetyl-phenyl-athern-hexadecyl phenyl etherSCHEMBL263776SCHEMBL1509376SCHEMBL3798494SCHEMBL6681542
Show more names
SCHEMBL6684072SCHEMBL8420511SCHEMBL8495999SCHEMBL10639345FQKWHGOHXVHGMR-UHFFFAOYSA-NAKOS024332589
Database identifiers
- CAS
35021-70-6- PubChem CID
- 4438129
- DTXSID
DTXSID80403297- EC Number
- 105-365-0
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 220
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (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%)
Related reactions
2 records
Compound notes
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