2,5-Dimethoxybenzaldehyde

HCID 66726
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Basic information

CAS
93-02-7
Standard SMILES
COc1ccc(OC)c(C=O)c1
InChIKey
AFUKNJHPZAVHGQ-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol
Monoisotopic mass
166.06299418

Overview

2,5-dimethoxy-Benzaldehyde is a dimethoxybenzene.

Names & identifiers

Preferred name
2,5-Dimethoxybenzaldehyde
IUPAC
2,5-dimethoxybenzaldehyde
English name
2,5-Dimethoxybenzaldehyde
Molecular formula
C9H10O3
Molecular weight
166.17

Names & synonyms

2,5-Dimethoxybenzaldehyde93-02-7Benzaldehyde, 2,5-dimethoxy-DTXSID5052620W49S1PPL78NSC-6315DTXCID9031193RefChem:82908202-211-52,5-Dimethoxy benzaldehydeNSC 6315MFCD00003314
Show more names
3400793-02--7Benzaldehyde CRS2,5-DimethoxybenzaL5-DiMethoxy benzaldehyde2,5-dimethoxy-benzaldehyd2,5-Dimethoxybenzaldehyde,97%2,5-DiMethoxybenzaldehyde, 97% 25GR
2,5-dimethoxy-benzaldehydeEINECS 202-211-52.5-dimethoxybenzaldehydeAKOS000118971CAS-93-02-7D1111F2190-06152,5-Dimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%

Database identifiers

CAS
93-02-7
PubChem CID
66726
DTXSID
DTXSID5052620
ChEMBL
CHEMBL3560070
ChEBI
CHEBI:183284
UNII
W49S1PPL78
EC Number
202-211-5
Nikkaji
J79.440F

Properties

Computed structural properties

XLogP
1.5
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
LogP1.91
Vapor Pressure0.01 [mmHg]
Physical DescriptionOff-white or yellow crystalline solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
46 · 46-48 °C (lit.)
Boiling point
146 °C/10 · 146 °C/10 mmHg (lit.)
Density
1.1708 · 1.1708 (rough estimate)
refractive index
1.526 · 1.5260 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzaldehyde, 2,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses somnolence, excitement, and muscle weakness in oral lethal-dose studies of mice; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
CU5740500
hs_code
29124900
risk_code
36/37/38-43

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 2,5-dimethoxy-: ACTIVE
Applications · 1 item

Uses2,5-Dimethoxybenzaldehyde is used in the preparation of 2,5-dimethoxyphenethylamine, which is utilized to prepare psychoactive drugs such as 2,5-dimethoxy-4-bromophenethylamine, 2,5-dimethoxy-4-iodophenethylamine and 4-Chloro-2,5-dimethoxy-phenethylamine. It acts as an intermediate in organic synthesis.

Preparation methods · 1 item

Preparation2,5-Dimethoxybenzaldehyde synthesis: Anethole is oxidized to anisaldehyde , which after isolation is subjected to a BaeyerVilliger oxidation reaction with performic or peracetic acid. The O-formyl-4-methoxyphenol obtained this way is hydrolyzed . 4-Methoxyphenol is subsequently formylated using the Reimer-Tiemann method and the obtained 2-hydroxy-5-methoxybenzaldehyde is methylated with dimethylsulfate to 2,5-dimethoxybenzaldehyde.

Upstream & downstream products

Suppliers100 total

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Additional notes

DefinitionChEBI: 2,5-dimethoxy-Benzaldehyde is a dimethoxybenzene.

Related reactions

76 records
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Compound notes

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