Basic information
- CAS
17199-24-5- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(O)c(Cl)c1- InChIKey
CLYCAZNGUGDEBH-UHFFFAOYSA-N- Molecular formula
- C14H21ClO
- Average molar mass
- 240.77 g/mol
- Monoisotopic mass
- 240.128093
Names & identifiers
- Preferred name
- 2-Chloro-4-(1,1,3,3-tetramethylbutyl)phenol
- IUPAC
- 2-chloro-4-(2,4,4-trimethylpentan-2-yl)phenol
- English name
- 2-Chloro-4-(1,1,3,3-tetramethylbutyl)phenol
- Molecular formula
- C14H21ClO
- Molecular weight
- 240.77
Names & synonyms
2-CHLORO-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL17199-24-5Phenol, 2-chloro-4-(1,1,3,3-tetramethylbutyl)-NSC 9891DTXSID4066173RefChem:468813DTXCID30355012-chloro-4-(2,4,4-trimethylpentan-2-yl)phenol2-Chloro-4-tert-octylphenolNSC-9891NSC9891DKB6SR9SPN
Show more names
SCHEMBL9082683SCHEMBL90826922-Chloro-4-(1,3,3-tetramethylbutyl)phenol
Database identifiers
- CAS
17199-24-5- PubChem CID
- 28396
- DTXSID
DTXSID4066173- UNII
- DKB6SR9SPN
- Nikkaji
- J421.985F
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- FDA UNII
- 6 SR9SPN · DKB6SR9SPN
- EPA Substance Registry System
- 2 · 2-Chloro-4-(1,1,3,3-tetramethylbutyl)phenol (17199-24-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-chloro-4-(1,1,3,3-tetramethylbutyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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