Basic information
- CAS
67554-50-1- Standard SMILES
CCCCCCCCc1ccccc1O- InChIKey
DUIOKRXOKLLURE-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Overview
Phenol, 2-octyl- has been reported in Ligusticum striatum and Ligusticum chuanxiong with data available.
Names & identifiers
- Preferred name
- n-Octylphenol
- IUPAC
- 2-octylphenol
- English name
- octylphenol
- Molecular formula
- C14H22O
- Molecular weight
- 206.33
Names & synonyms
Octylphenol67554-50-1n-OctylphenolRefChem:856100DTXSID90897481DTXCID501326828266-717-82-OCTYLPHENOLPhenol, 2-octyl-o-Octylphenol949-13-3Phenol, o-octyl-
Show more names
TERT-OCTYLPHENOLOCTOPHENOL
2-n-OctylphenolEINECS 213-437-9BRN 19514852-octyl-phenolEINECS 266-717-8SCHEMBL188084-06-00-03472 (Beilstein Handbook Reference)SCHEMBL396018
Database identifiers
- CAS
67554-50-1、949-13-3- PubChem CID
- 13700
- DTXSID
DTXSID3061344- EC Number
- 213-437-9、266-717-8
- Nikkaji
- J127.128H
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 262 P7049B · S262P7049B
- EPA Substance Registry System
- Octylphenol (67554-50-1)
- Signal word
- Danger
- Hazard statements
- 410 · H410-H318-H400-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P273-P391-P501-P273-P391-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, 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%)
Safety data
- Signal word
- Danger
- Hazard statements
- H410-H318-H400-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P273-P391-P501-P273-P391-P501
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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