o-(1-Methylheptyl)phenol
Basic information
- CAS
18626-98-7- Standard SMILES
CCCCCCC(C)c1ccccc1O- InChIKey
YENLEHMSMBFUTB-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- o-(1-Methylheptyl)phenol
- IUPAC
- 2-octan-2-ylphenol
- English name
- o-sec-octylphenol
- Molecular formula
- C14H22O
- Molecular weight
- 206.32388
Names & synonyms
o-(1-Methylheptyl)phenol18626-98-7EINECS 242-459-1EC 242-459-1RefChem:855077242-459-12-octan-2-ylphenol2-(octan-2-yl)phenol93891-78-2sec-Octylphenol26401-75-2o-sec-Octylphenol
Show more names
2-(2-Methylheptyl)phenol
sec-octyl-phenol2-s-octylphenolEINECS 247-663-4EINECS 299-461-0SCHEMBL980558SCHEMBL11754712YENLEHMSMBFUTB-UHFFFAOYSA-NNS00007531
Database identifiers
- CAS
18626-98-7、26401-75-2、93891-78-2- PubChem CID
- 86767
- DTXSID
DTXSID70917353- EC Number
- 242-459-1、247-663-4、299-461-0
- Nikkaji
- J222.257D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: o-(1-methylheptyl)phenol (EC: 242-459-1)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…