1,3-Dimethoxybenzene

HCID 178757762CAS 362049-44-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc(OC)c1
InChIKey
DPZNOMCNRMUKPS-UHFFFAOYSA-N
Molecular formula
C8H10O2
Average molar mass
138.16 g/mol

Overview

1,3-Dimethoxybenzene is a member of methoxybenzenes.

Names & identifiers

Preferred name
1,3-Dimethoxybenzene
IUPAC
1,3-dimethoxybenzene
English name
1,3-DIMETHOXYBENZEN-2,4,5,6-D4
Molecular formula
C8H10O2
Molecular weight
138.17

Names & synonyms

1,3-Dimethoxybenzene151-10-0Resorcinol dimethyl etherBenzene, 1,3-dimethoxy-M-DIMETHOXYBENZENE3-MethoxyanisoleBenzene, m-dimethoxy-Dimethyl resorcinolDimethylether resorcinoluFEMA No. 2385DTXSID20470602694Z07HQY
Show more names
1,3-DiMethoxybenzene-d41,3-DIMETHOXYBENZEN-2,4,5,6-D41,3-DIMETHOXYBENZENE-2,4,5,6-D4
meta-dimethoxybenzeneNSC-8699DTXCID0027060RefChem:72695205-783-4DimethylresorcinolMethoxyanisole, m-m-Methoxyanisole

Database identifiers

CAS
362049-44-3
ChEMBL
CHEMBL2252486
ChEBI
CHEBI:89853
UNII
2694Z07HQY
EC Number
205-783-4
Nikkaji
J5.861K

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Ethers, Other
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (m-Dimethoxybenzene) -> IFRA transparency List
LogP · 2 items

2.21

2.21

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2 items

1.053-1.057

1.0521 @25 °C

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 97.5% (268 of 275) of all reports.

Not Classified

Aggregated GHS information provided per 275 reports by companies from 4 notifications to the ECHA C&L Inventory.

Warning

H227: Combustible liquid [Warning Flammable liquids]

P210, P280, P370+P378, P403, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 4 items

Chemical: Benzene, 1,3-dimethoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 27-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19544

Benzene, 1,3-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 item

Causes somnolence, tremor, and ataxia in intraperitoneal lethal-dose studies of mice (LD50 = 900 mg/kg); [RTECS] Safe when used as a flavoring agent in food; [JECFA] A mild skin and eye irritant; Harmful by skin absorption; [Alfa Aesar MSDS] See Anisole and Hydroquinone dimethyl ether.

Hazard Classes and Categories · 2 items

Not Classified

Flammable liquids - Category 4

Safety & protection

Protective Action Criteria (PAC) · 3 items

3.0 [mg/m3]

32 [mg/m3]

190 [mg/m3]

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

UsesUsed as a flavoring agent; [FDA]
Use Classification · 6 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzene, 1,3-dimethoxy-: ACTIVE

Applications

Uses1,3-Dimethoxybenzene-2,4,5,6-d4 (CAS# 362049-44-3) is a useful isotopically labeled research compound.

Suppliers8 total

盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]

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