2,4-Dimethoxybenzaldehyde

HCID 69175
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Basic information

CAS
613-45-6
Standard SMILES
COc1ccc(C=O)c(OC)c1
InChIKey
LWRSYTXEQUUTKW-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol
Monoisotopic mass
166.06299418

Overview

2,4-Dimethoxybenzaldehyde is a dimethoxybenzene.

Names & identifiers

Preferred name
2,4-Dimethoxybenzaldehyde
IUPAC
2,4-dimethoxybenzaldehyde
English name
2,4-Dimethoxybenzaldehyde
Molecular formula
C9H10O3
Molecular weight
166.17

Names & synonyms

2,4-Dimethoxybenzaldehyde613-45-6Benzaldehyde, 2,4-dimethoxy-MM3U32AQ5FNSC-27023DTXSID3022081RefChem:82481DTXCID002081210-342-4MFCD000033112,4-bis(methyloxy)benzaldehyde2,4-dimethoxybenzaldehye
Show more names
NSC 270232,4-DimethoxyAKOS BBS-000031822,4-DimethoxybenzaL2,4-Dimethoxybenzald2-MethoxyanisaldehydeLABOTEST-BB LT009285182,4- twoMethoxybenzaldehyde
ArgoPore(TM)-MB-CHOOpera_ID_11272,4 dimethoxylbenzaldehyde2,4-dimethoxy-benzaldehydeSMR000305364MLS000723769STR06383AC-8396

Database identifiers

CAS
613-45-6
PubChem CID
69175
DTXSID
DTXSID3022081
ChEMBL
CHEMBL234216
ChEBI
CHEBI:228972
UNII
MM3U32AQ5F
EC Number
210-342-4
Nikkaji
J79.736G

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzaldehydes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
67 · 67-69 °C (lit.)
Boiling point
165 °C/10 · 165 °C/10 mmHg (lit.)
Density
1.1708 · 1.1708 (rough estimate)
refractive index
1.526 · 1.5260 (estimate)
Flash point
165 °C/10mm · 165°C/10mm
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzaldehyde, 2,4-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 2,5-Dimethoxybenzyl alcohol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29124900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses2,4-Dimethoxybenzaldehyde is used as a reagent to specifically quantify phlorotannins. It is also used as a component of hair dyes.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

Related reactions

178 records
New reaction record

Compound notes

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