Results for:
PubChem ID: 1752

4-nonylphenol

Compound Details

Synonymous names
4-nonylphenol
4-n-Nonylphenol
104-40-5
p-Nonylphenol
4-nonyl phenol
para-Nonylphenol
Phenol, 4-nonyl-
p-n-Nonylphenol
Phenol, p-nonyl-
para Nonyl phenol
p -n -Nonylphenol
4-Nonyl-Phenol
4-n-Nonyl phenol
DTXSID5033836
CHEBI:34440
MFCD00002396
68081-86-7
4-NP
DTXCID001857
4-tert-nonylphenol
CAS-104-40-5
CCRIS 1251
HSDB 5359
EINECS 203-199-4
UNII-I03GBV4WEL
BRN 2047450
nonyl-phenol
p-nonyl phenol
p-nonyl-phenol
Para-nonyl phenol
4-Nonylphenol, tech.
Spectrum_001973
SpecPlus_000624
P-NONYLPHENOL (ENDOCRINE DISRUPTER)
Spectrum2_001832
Spectrum3_000872
Spectrum4_000712
Spectrum5_002066
4-n-Nonylphenol, 85%
4-n-Nonylphenol, 98%
I03GBV4WEL
BIDD:PXR0002
SCHEMBL15887
BSPBio_002543
KBioGR_001263
KBioSS_002539
SPECTRUM330085
3-06-00-02067 (Beilstein Handbook Reference)
BIDD:ER0006
DivK1c_006720
SPBio_001903
CHEMBL153062
KBio1_001664
KBio2_002530
KBio2_005098
KBio2_007666
KBio3_002043
4-Nonylphenol, analytical standard
Tox21_201241
Tox21_303647
BDBM50410532
CCG-39613
LMPK15010001
STL453644
AKOS015888197
MCULE-5930378829
NCGC00090918-01
NCGC00090918-02
NCGC00090918-03
NCGC00090918-05
NCGC00090918-06
NCGC00090918-07
NCGC00090918-08
NCGC00257420-01
NCGC00258793-01
PD002549
NS00010283
4-n-Nonylphenol 10 microg/mL in Acetonitrile
4-n-Nonylphenol 10 microg/mL in Cyclohexane
4-n-Nonylphenol 100 microg/mL in Cyclohexane
4-Nonylphenol, PESTANAL(R), analytical standard
SR-05000002459
J-001167
Q4545806
SR-05000002459-1
4-Nonylphenol, certified reference material, TraceCERT(R)
Microorganism:

Yes

IUPAC name4-nonylphenol
SMILESCCCCCCCCCC1=CC=C(C=C1)O
InchiInChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
FormulaC15H24O
PubChem ID1752
Molweight220.35
LogP5.9
Atoms16
Bonds8
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids alkylphenols phenols aromatic compounds
CHEBI-ID34440
Supernatural-IDSN0144836

mVOC Specific Details

Boiling Point
DegreeReference
317 °C peer reviewed
Volatilization
The Henry's Law constant for p-nonylphenol is estimated as 3.4X10-5 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 8.175X10-4 mm Hg(1), and water solubility, 7 mg/l(2). This value indicates that p-nonylphenol will volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 1.8 days(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 18 days(3,SRC). The volatilization half-life from a model pond (2 meters deep) can be estimated to be about 19.6 days if the effect of adsorption to sediment is ignored(4,SRC); when the effect of maximum adsorption is considered, the half-life increases to 5.8 years(4,SRC).
Literature: (1) Bidelman TF, Renberg L; Chemosphere 14: 1475-81 (1985) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) USEPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
The Koc of p-nonylphenol is estimated as approximately 32400(SRC), using an experimental log Kow of 5.76(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that p-nonylphenol will be immobile in soil(SRC).
Literature: (1) Itokawa H et al; Chem Pharm Bull 37: 1619-21 (1989) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
Vapor pressure = 0.109 Pa at 25 deg CBidleman TF, Renberg L; Chemosphere 14: 1475-81 (1985)
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Putidanablack pepper rootSheoran et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas PutidaLuria Bertani AgarSolvent extraction with dichloro methane, GC/MSno