3-Ethoxy-4-methoxybenzaldehyde

HCID 244728
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Basic information

CAS
1131-52-8
Standard SMILES
CCOc1cc(C=O)ccc1OC
InChIKey
VAMZHXWLGRQSJS-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Names & identifiers

Preferred name
3-Ethoxy-4-methoxybenzaldehyde
IUPAC
3-ethoxy-4-methoxybenzaldehyde
English name
3-Ethoxy-4-methoxybenzaldehyde
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

3-Ethoxy-4-methoxybenzaldehydeVAMZHXWLGRQSJS-UHFFFAOYSA-DTXSID90288436RefChem:93786DTXCID30239583642-869-4InChI=1/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3VAMZHXWLGRQSJS-UHFFFAOYSA-N1131-52-8Benzaldehyde, 3-ethoxy-4-methoxy-MFCD000101283-ethoxy-4-methoxy-benzaldehyde
Show more names
AKOS 235-18AKOS B004408ASISCHEM N42746AKOS BBS-000066393-ethoxy-4-methoxy3-Ethoxy-4-methoxybe3-Ethoxy-4-methoxybenzaL3-Ethoxy-4-methoxybenzadehyde3-ETHOXY-4-METHOXYHENZALDEHYDE
3-ethoxy-4methoxybenzaldehydeSCHEMBL754958NSC-55839(3-ethoxy-4-methoxy-phenyl)-methanone3-Ethoxy-p-anisaldehyde4-methoxy-3-ethoxybenzaldehydeAMY4603-ethoxy-4-methoxy benzaldehyde

Database identifiers

CAS
1131-52-8
PubChem CID
244728
DTXSID
DTXSID90288436
UNII
ZD9VP7PJP9
EC Number
642-869-4
Nikkaji
J150.056B

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
51 °C · 51 °C
Boiling point
155 °C/10mmHg · 155°C/10mmHg(lit.)
Density
1.088 · 1.088±0.06 g/cm3(Predicted)
Flash point
113 °C · 113 °C
storage temp.
room temp
solubility
Soluble in methanol.

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29124990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses3-Ethoxy-4-methoxybenzaldehyde is used as a pharmaceutical intermediate.

General Description3-Ethoxy-4-methoxybenzaldehyde is a derivative of vanillin.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

85 records
New reaction record

Compound notes

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