3,4-Dimethoxytoluene

HCID 68126
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Basic information

CAS
494-99-5
Standard SMILES
COc1ccc(C)cc1OC
InChIKey
GYPMBQZAVBFUIZ-UHFFFAOYSA-N
Molecular formula
C9H12O2
Average molar mass
152.19 g/mol
Monoisotopic mass
152.08372962

Overview

structure given in first source

Names & identifiers

Preferred name
3,4-Dimethoxytoluene
IUPAC
1,2-dimethoxy-4-methylbenzene
English name
3,4-Dimethoxytoluene
Molecular formula
C9H12O2
Molecular weight
152.19

Names & synonyms

3,4-Dimethoxytoluene494-99-51,2-Dimethoxy-4-methylbenzeneHomoveratrole4-MethylveratroleBenzene, 1,2-dimethoxy-4-methyl-4-Methylveratrol4-Methyl-1,2-dimethoxybenzeneToluene, 3,4-dimethoxy-349X0G2SSFNSC-7378DTXSID8060088
Show more names
3,4-DimethoxytoL3,4-Dimethoxytoluene 96%3,4-Dimethoxytoluene,98%3,4-Dimethoxytoluene >
RefChem:91191DTXCID3040691207-796-0MFCD00016651Veratrole, 4-methyl-3,4-dimethoxy-tolueneNSC 7378CHEMBL273904

Database identifiers

CAS
494-99-5
PubChem CID
68126
DTXSID
DTXSID8060088
ChEMBL
CHEMBL273904
UNII
349X0G2SSF
EC Number
207-796-0
Nikkaji
J5.504B

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Ethers, Other
SpringerMaterials PropertiesOptical coefficient
Physical Description · 2 items

Solid; mp = 22-23 deg C; [Sigma-Aldrich MSDS]

Liquid

Physicochemical properties

Melting point
22 · 22-23 °C (lit.)
Boiling point
133 · 133-135 °C/50 mmHg (lit.)
Density
1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.528(lit.)
Flash point
185 °F · 185 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 69% (89 of 129) of all reports.

Warning

H315 (31%): 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 129 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzene, 1,2-dimethoxy-4-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Methoxy-4-methylbenzene.
Hazard Classes and CategoriesSkin Irrit. 2 (31%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29093090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,2-dimethoxy-4-methyl-: INACTIVE
Applications · 2 items

Uses3,4-Dimethoxytoluene was used as an internal standard in HPLC quantifications.

General Description3,4-Dimethoxytoluene is the main component of essential oil isolated from Phoenix dactylifera L. It was selectively oxidized to the corresponding 1,4-benzoquinones in the presence of hydrogen peroxide/methyltrioxorhenium in 1-butyl-3-methylimidazolium tetrafluoroborate.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

31 records
New reaction record

Compound notes

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