4-Ethyl-1,2-dimethoxybenzene

HCID 79990

Notes Reactions

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Basic information

CAS: 5888-51-7
Standard SMILES: CCc1ccc(OC)c(OC)c1
InChIKey: NEBQMYHKOREVAL-UHFFFAOYSA-N
Molecular formula: C10H14O2
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.09937969

Overview

4-Ethyl-1,2-dimethoxybenzene is a dimethoxybenzene.

Names & identifiers

Preferred name: 4-Ethyl-1,2-dimethoxybenzene
IUPAC: 4-ethyl-1,2-dimethoxybenzene
English name: 1,2-Dimethoxy-4-ethylbenzene
Molecular formula: C10H14O2
Molecular weight: 166.22

Names & synonyms

4-Ethyl-1,2-dimethoxybenzeneBenzene, 1,2-dimethoxy-4-ethyl-4-ethyl-1,2-dimethoxy-benzene4-Ethyl-2-methoxyanisole1,2-Dimethoxy-4-ethyl-benzeneDTXSID90207581RefChem:98851DTXCID40130072NEBQMYHKOREVAL-UHFFFAOYSA-N5888-51-71,2-Dimethoxy-4-ethylbenzene4-Ethylveratrole

Show more names

4-Ethylveratrol1-Ethyl-3,4-dimethoxybenzene1,2-dimethoxy-4-ethyl-benzen

3,4-DimethoxyphenylethaneMFCD00673001Benzene, 4-ethyl-1,2-dimethoxy-4-Ethyl-12-dimethoxybenzene3,4-dimethox3,4-dimethoxyethylbenzeneSCHEMBL31428SCHEMBL217601

Database identifiers

CAS: 5888-51-7
PubChem CID: 79990
DTXSID: DTXSID90207581
ChEBI: CHEBI:195772
Nikkaji: J32.085D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 234.44 °C · 234.44°C (rough estimate)
Density: 0.9817 · 0.9817 (rough estimate)
refractive index: 1.4859 · 1.4859 (estimate)
storage temp.: Sealed in dry,Room Temperature
Odor: 10 % · at 10.00 % in dipropylene glycol. musty earthy
Odor Type: musty
InChI: InChI=1S/C10H14O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h5-7H,4H2,1-3H3
InChIKey: NEBQMYHKOREVAL-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(CC)C=C1OC
LogP: 2.685 · 2.685 (est)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2909309090 · 2909309090

Safety & regulation

Safety data

hs_code: 2909309090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Upstream & downstream products

Upstream raw materials

3,4-dimethoxy-α-[(2-methoxyphenoxy)methyl]-Benzenemethanol 1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)ethanone Methyl ether α-Tosyl-(3,4-dimethoxybenzyl)isocyanide 2-Propionylpyridine veratrylglycerol-beta-guaiacyl ether 3,4-Dimethoxystyrene 4-Ethylcatechol 1,2-Dimethoxy-4-n-propylbenzene 4-Bromoveratrole 3,4-Dimethoxyacetophenone 3,4-Dimethoxybenzyl alcohol Methyl diiodide

Downstream products

2,6-Dimethoxyphenol

Suppliers25 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

9 records

New reaction record

HRID 214742As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 249258As productuspto-grants-1993_05

HRID 249259As reactantuspto-grants-1993_05

HRID 703998As productuspto-grants-1991_01

HRID 703999As reactantuspto-grants-1991_01

HRID 855975As productuspto-grants-2007_08

HRID 1029695As productuspto-grants-1992_04

HRID 1029696As reactantuspto-grants-1992_04

Compound notes

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