Phenol, 2-hexadecyl-

HCID 117474
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
25401-86-9
Standard SMILES
CCCCCCCCCCCCCCCCc1ccccc1O
InChIKey
HMWIHOZPGQRZLR-UHFFFAOYSA-N
Molecular formula
C22H38O
Average molar mass
318.5 g/mol
Monoisotopic mass
318.29226584

Names & identifiers

Preferred name
Phenol, 2-hexadecyl-
IUPAC
2-hexadecylphenol
English name
o-hexadecylphenol
Molecular formula
C22H38O
Molecular weight
318.54

Names & synonyms

Phenol, 2-hexadecyl-25401-86-9EINECS 246-947-5DTXSID6067092RefChem:860847DTXCID4037297o-Hexadecylphenol2-hexadecylphenolhexadecylphenol2-Hexadecyl phenolSCHEMBL273583SCHEMBL2679729
Show more names
2-HEXADECYL-PHENOL
SCHEMBL5269764SCHEMBL526977028471-04-7NS00027885

Database identifiers

CAS
25401-86-9
PubChem CID
117474
DTXSID
DTXSID6067092
EC Number
246-947-5
Nikkaji
J155.353D

Properties

Computed structural properties

XLogP
10
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
15
Heavy atoms
23

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
59 · 59-60 °C(Solv: methanol (67-56-1); water (7732-18-5); ligroine (8032-32-4))
Boiling point
210 °C · 210 °C(Press: 42 Torr)
Density
0.905 · 0.905±0.06 g/cm3(Predicted)
pka
10.42 · 10.42±0.30(Predicted)
EPA Substance Registry System
2 · Phenol, 2-hexadecyl- (25401-86-9)
TSCA
TSCA listed

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 2-hexadecyl-: ACTIVE

Suppliers2 total

深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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