Results for:
PubChem ID: 31244

4-methoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names
4-Methoxybenzaldehyde
123-11-5
P-ANISALDEHYDE
Anisic aldehyde
Anisaldehyde
p-Methoxybenzaldehyde
Aubepine
4-Anisaldehyde
Benzaldehyde, 4-methoxy-
p-Formylanisole
Crategine
Obepin
p-Anisic aldehyde
para-anisaldehyde
4-Methoxy-benzaldehyde
Formylanisole, p-
anisal
Caswell No. 051E
FEMA No. 2670
NSC 5590
CCRIS 821
4-methoxy benzaldehyde
MFCD00003385
para-methoxybenzaldehyde
p-Methoxybenzaldehyde (natural)
HSDB 2641
EINECS 204-602-6
UNII-9PA5V6656V
p-methoxy benzaldehyde
DTXSID2026997
AI3-00223
9PA5V6656V
NSC-5590
50984-52-6
p-Methoxybenzaldehyde-13C6
CHEMBL161598
DTXCID906997
CHEBI:28235
EC 204-602-6
P-ANISALDEHYDE (USP-RS)
P-ANISALDEHYDE [USP-RS]
p-Anisaldehyde,p-Methoxybenzaldhyde
CAS-123-11-5
MEPYRAMINE MALEATE IMPURITY P (EP IMPURITY)
MEPYRAMINE MALEATE IMPURITY P [EP IMPURITY]
anisaldehyd
Anis aldehyde
FEMA 2670
4-methoxybenzaldehye
4-methoxybezaldehyde
EINECS 256-891-3
Anisaldehyde (para)
P-Anisaldehyde,(S)
4-methoxylbenzaldehyde
p-Anisaldehyde, 8CI
4-methoxybenzylaldehyde
BRN 0471382
p-Anisaldehyde, 98%
p-Anisaldehyde, Reagent
benzaldehyde, 4-methoxy
para-methoxy benzaldehyde
4-(methyloxy)benzaldehyde
bmse010130
WLN: VHR DO1
ANISALDEHYDE [INCI]
SCHEMBL1100
P-ANISALDEHYDE [MI]
68894-36-0
MLS002152921
P-ANISALDEHYDE [HSDB]
p-Methoxybenzylidenemalonitrile
4-methoxybenzene carboxaldehyde
PARA- METHOXYBENZALDEHYDE
NSC5590
HMS3039F08
p-Anisaldehyde, analytical standard
P-METHOXYBENZALDEHYDE [FCC]
HY-Y0740
p-Anisaldehyde, natural, 98%, FG
P-METHOXYBENZALDEHYDE [FHFI]
Tox21_201943
Tox21_303331
AC7808
BDBM50139370
s5086
STL194068
AKOS000118814
CCG-214805
CS-W020189
MCULE-9537754812
p-Anisaldehyde (4-Methoxybenzaldehyde)
p-Anisaldehyde, for synthesis, 98.0%
NCGC00090807-01
NCGC00090807-02
NCGC00257076-01
NCGC00259492-01
p-Anisaldehyde, >=97.5%, FCC, FG
AC-10379
CS-11005
SMR001224521
SY001689
DB-012818
A0480
BENZALDEHYDE,4-METHOXY MFC8 H8 O2
NS00003331
EN300-16096
4-08-00-00252 (Beilstein Handbook Reference)
A805017
Q174937
Q-100105
Z53833125
F2190-0575
p-Anisaldehyde, primary pharmaceutical reference standard
p-Anisaldehyde, certified reference material, TraceCERT(R)
p-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard
InChI=1/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H
Microorganism:

Yes

IUPAC name4-methoxybenzaldehyde
SMILESCOC1=CC=C(C=C1)C=O
InchiInChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
FormulaC8H8O2
PubChem ID31244
Molweight136.15
LogP1.8
Atoms10
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids aromatic aldehydes aldehydes aromatic compounds benzaldehydes ethers
CHEBI-ID28235
Supernatural-IDSN0478525

mVOC Specific Details

Boiling Point
DegreeReference
255 °C peer reviewed
Volatilization
The Henry's Law constant for p-anisaldehyde is estimated as 1.4X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 3.29X10-2 mm Hg(1), and water solubility, 4.29X10+3 mg/L(2). This Henry's Law constant indicates that p-anisaldehyde is expected to volatilize from water surfaces(3). 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)(3) is estimated as 20 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 230 days(SRC). p-Anisaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). p-Anisaldehyde has a vapor pressure of 3.29X10-2 mm Hg at 25 °C(1) and exists as a liquid under environmental conditions; therefore, p-anisaldehyde may volatilize from dry soil(SRC).
Soil Adsorption
The Koc of p-anisaldehyde is estimated as 53(SRC), using a log Kow of 1.76(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that p-anisaldehyde is expected to have high mobility in soil.
Vapor Pressure
PressureReference
1 MM HG @ 73 DEG CClayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2663
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaClitocybe OdoraNARapior et al. 2002
EukaryotaLentinellus CochleatusNARapior et al. 2002
EukaryotaDaedalea Juniperinan/aNAStotzky and Schenck 1976
EukaryotaTrametes SuaveolensNABirkinshaw et al. 1945
ProkaryotaPolyporus BenzoinusNABirkinshaw et al. 1952
EukaryotaBjerkandera AdustaNASpinnler at al. 1994
EukaryotaBjerkandera Adustan/aNALapadatescu et al. 2000
Lactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaClitocybe Odorahydro-destillation, solvent extraction, GC-MSno
EukaryotaLentinellus Cochleatushydro-destillation, solvent extraction, GC-MSno
EukaryotaDaedalea Juniperinan/an/ano
EukaryotaTrametes Suaveolensno
ProkaryotaPolyporus Benzoinusno
EukaryotaBjerkandera Adustano
EukaryotaBjerkandera AdustaMinimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.no
Lactobacillus PlantarumHabanero pepperGC–IMSno