Results for:
PubChem ID: 20525

2,4,5-trimethoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names	2,4,5-TRIMETHOXYBENZALDEHYDE 4460-86-0 Asaraldehyde Asarylaldehyde Asaronaldehyde Azarylaldehyde Gazarin 3,4,6-Trimethoxybenzaldehyde Benzaldehyde, 2,4,5-trimethoxy- 14374-62-0 NSC 89299 2,4,5-trimethoxy-benzaldehyde NCI-C61632 MFCD00003312 NDU8J2Q00D 2,4,5-trimethoxylbenzaldehyde 2,4,5-Trimethoxy benzaldehyde DTXSID1022217 NSC-89299 NCGC00091253-05 SMR000112148 CCRIS 1296 HSDB 4502 EINECS 224-713-3 UNII-NDU8J2Q00D BRN 1951403 AI3-36671 Acrolein(Propenal) Spectrum_000818 Spectrum2_000386 Spectrum3_000170 Spectrum4_001759 Spectrum5_000618 2,5-Trimethoxybenzaldehyde 3,6-Trimethoxybenzaldehyde Asaraldehyde (Asaronaldehyde) BSPBio_001639 KBioGR_002238 KBioSS_001298 SPECTRUM200208 4-08-00-02715 (Beilstein Handbook Reference) MLS002473312 MLS002695891 MLS006011864 2,4,5-Trimethoxybenzaldheyde SCHEMBL333451 SPBio_000571 2,4,5-Trimethoxy-benzaldehyd 3,4, 6-Trimethoxybenzaldehyde DTXCID702217 CHEMBL1164301 2,4,5-tri-methoxy benzaldehyde KBio2_001298 KBio2_003866 KBio2_006434 KBio3_001139 CHEBI:113543 Asarylaldehyde, analytical standard BCPP000436 HMS1922P08 HMS2268O16 HMS3656M12 HMS3884N06 BCP02914 NSC89299 Tox21_400070 BBL011033 CCG-38657 CK2093 s2531 STK802187 2,4,5-Trimethoxybenzaldehyde, 98% AKOS000119399 AC-4247 BCP9000230 CS-6035 MCULE-7174618286 PS-6109 SDCCGMLS-0066425.P001 NCGC00091253-01 NCGC00091253-02 NCGC00091253-03 NCGC00091253-04 NCGC00091253-06 NCGC00091253-07 TRIMETHOXYBENZALDEHYDE, 2,4,5- SY015794 2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI BCP0726000304 CAS-4460-86-0 DB-051236 HY-100580 2,4,5-TRIMETHOXYBENZALDEHYDE [HSDB] NS00015122 SW219241-1 T1172 EN300-20248 A26620 AP-065/41884113 SR-05000002433 Q-100162 SR-05000002433-1 BRD-K88219015-001-02-5 BRD-K88219015-001-05-8 Q27194435 F2190-0582 Z104477478 2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98% InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H
Microorganism:	No
IUPAC name	2,4,5-trimethoxybenzaldehyde
SMILES	COC1=CC(=C(C=C1C=O)OC)OC
Inchi	InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
Formula	C10H12O4
PubChem ID	20525
Molweight	196.2
LogP	1.3
Atoms	14
Bonds	4
H-bond Acceptor	4
H-bond Donor	0
Chemical Classification	benzenoids aromatic aldehydes aromatic compounds aldehydes benzaldehydes ethers
CHEBI-ID	113543
Supernatural-ID	SN0140345

mVOC Specific Details

Boiling Point	Degree Reference 140 median, REST, convertet to C
Vapor Pressure	Pressure Reference 1.13X10-3 mm Hg at 25 deg C (est) US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Feb 19, 2007: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links	MS-MS Spectrum 58743 MS-MS Spectrum 230619 MS-MS Spectrum 58744 MS-MS Spectrum 114746 MS-MS Spectrum 230618 MS-MS Spectrum 58745 MS-MS Spectrum 114745 MS-MS Spectrum 114744
1D-NMR-Links	1D NMR Spectrum 3870 1D NMR Spectrum 4139
Massbank-Links	Massbank Spectrum MSBNK-EPA-ENTACT_AGILENT000460 Massbank Spectrum MSBNK-EPA-ENTACT_AGILENT000461 Massbank Spectrum MSBNK-EPA-ENTACT_AGILENT000462

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Antrodia Camphorata NA Chiang et al. 2013 Eukaryota Antrodia Cinnamomea NA Chen et al. 2007
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Antrodia Camphorata no Eukaryota Antrodia Cinnamomea no