Results for:
PubChem ID: 34777

Benzene-1,3-dicarbaldehyde

Compound Details

Synonymous names
Isophthalaldehyde
626-19-7
m-Phthalaldehyde
1,3-Benzenedicarboxaldehyde
Isophthaldehyde
benzene-1,3-dicarbaldehyde
1,3-benzenedialdehyde
Isophthaldialdehyde
Isophtaldehydes
Benzene-1,3-dicarboxaldehyde
Isophthalic dicarboxaldehyde
MFCD00003372
LU162B2N9X
NSC-5092
30025-33-3
Isophtaldehydes [French]
3-Phthalaldehyde
NSC 5092
EINECS 210-935-8
BRN 1561038
UNII-LU162B2N9X
isophtalaldehyde
iso-phthalaldehyde
3-formylbenzaldehyde
Isophthalaldehyde, 97%
Benzene 1,3 dicarbaldehyde
BENZENEDICARBOXALDEHYDE
4-07-00-02139 (Beilstein Handbook Reference)
SCHEMBL180566
CHEMBL2289228
HSDB 8459
DTXSID30870718
NSC5092
BCP24518
AKOS003628495
MCULE-3097604055
NCGC00188276-01
AS-10887
BP-10519
SY007029
DB-054216
AM20061091
CS-0015077
I0153
NS00042925
EN300-21269
AT-051/40181211
Isophthalaldehyde, Vetec(TM) reagent grade, 97%
J-521559
Q27283179
InChI=1/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6
Microorganism:

Yes

IUPAC namebenzene-1,3-dicarbaldehyde
SMILESC1=CC(=CC(=C1)C=O)C=O
InchiInChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
FormulaC8H6O2
PubChem ID34777
Molweight134.13
LogP1.2
Atoms10
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic aldehydes aromatic compounds benzaldehydes aldehydes benzenoids
Supernatural-IDSN0159122

mVOC Specific Details

Boiling Point
DegreeReference
246 °C peer reviewed
Volatilization
The Henry's Law constant for isophthalaldehyde is estimated as 3.4X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that isophthalaldehyde is expected to be essentially nonvolatile from water and moist soil surfaces(2). Isophthalaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.8X10-3 mm Hg(SRC), determined from a fragment constant method(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of isophthalaldehyde can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that isophthalaldehyde is expected to have very high mobility in soil(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno