4-Dodecylphenol

HCID 66030

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 104-43-8
Standard SMILES: CCCCCCCCCCCCc1ccc(O)cc1
InChIKey: KJWMCPYEODZESQ-UHFFFAOYSA-N
Molecular formula: C18H30O
Average molar mass: 262.4 g/mol
Monoisotopic mass: 262.22966558

Overview

4-Dodecylphenol is a member of phenols.

Names & identifiers

Preferred name: 4-Dodecylphenol
IUPAC: 4-dodecylphenol
English name: 4-DODECYLPHENOL
Molecular formula: C18H30O
Molecular weight: 262.43

Names & synonyms

4-Dodecylphenol104-43-8Phenol, 4-dodecyl-p-DodecylphenolPhenol, p-dodecyl-4-n-dodecylphenolMFCD00039521Para-dodecyl phenolCHEMBL194881DTXSID10225084-DODECYLBENZOLOLEZF5Y6P2G8

Show more names

PDDP4-laurylphenolP-LAURYLPHENOL4-dodecyl-phenoPARA-DODECYLPHENOL

UNII-EZF5Y6P2G8p-dodecyl phenol4-dodecyl phenolEINECS 203-202-9J104.968BSCHEMBL18082BIDD:ER0007DTXCID402508

Database identifiers

CAS: 104-43-8
PubChem CID: 66030
DTXSID: DTXSID1022508
ChEMBL: CHEMBL194881
ChEBI: CHEBI:34402
UNII: EZF5Y6P2G8
EC Number: 203-202-9
Nikkaji: J104.968B

Properties

Computed structural properties

XLogP: 7.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 11
Heavy atoms: 19
Formal charge: 0
Complexity: 182

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phenols

LogP7.91

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure0.0000023 [mmHg]

Physical DescriptionStraw-colored liquid with a phenolic odor; [Fisher Scientific MSDS]

Physicochemical properties

Melting point: 78 °C · 78°C (estimate)
Boiling point: 310 · 310-335 °C(lit.)
Density: 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.503(lit.)
Flash point: 230 °F · >230 °F
pka: 10.14 · 10.14±0.15(Predicted)
form: powder to crystal
color: White to Light yellow
FDA UNII: 5 Y6P2G8 · EZF5Y6P2G8
EPA Substance Registry System: 4 · 4-Dodecylphenol (104-43-8)
Symbol(GHS): 5 · GHS05,GHS08,GHS09
Signal word: Danger
Hazard statements: 314 · H314-H361-H410
Precautionary statements: 501 · P501-P273-P260-P202-P201-P264-P280-P391-P308+P313-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
WGK Germany: 2 · 2
RTECS: 3675000 · SL3675000
TSCA: TSCA listed
HS Code: 2907.19 · 2907.19.8000

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314 (73.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P321, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 34 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Hazard information

Regulatory Information · 2 items

Chemical: Phenol, 4-dodecyl-

Phenol, 4-dodecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Dodecylphenols

Hazards SummaryMay cause irritation; [Fisher Scientific MSDS] See Dodecylphenol.

Hazard Classes and Categories · 2 items

Skin Corr. 1B (73.5%)

Hazardous to the aquatic environment (Acute) - Category 1

Safety data

wgk: 2
tsca: TSCA listed
rtecs: SL3675000
hs_code: 2907.19.8000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05,GHS08,GHS09
hazard_code: C
safety_code: 26-36/37/39-45
Hazard statements: H314-H361-H410
Precautionary statements: P501-P273-P260-P202-P201-P264-P280-P391-P308+P313-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405