CAS 24599-58-4 2,5-Dimethoxytoluene (HCID 90552)

Names & identifiers

Preferred name: 2,5-Dimethoxytoluene
IUPAC: 1,4-dimethoxy-2-methylbenzene
English name: 2,5-Dimethoxytoluene
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

2,5-Dimethoxytoluene1,4-Dimethoxy-2-methylbenzeneBenzene, 1,4-dimethoxy-2-methyl-Toluene, 2,5-dimethoxy-2-Methylhydroquinone dimethyl etherMethyl hydroquinone dimethyl esterQK260AXY6T2-methyl-1,4-dimethoxybenzeneEINECS 246-343-12-Methyl-1,4-bis(methyloxy)benzeneUNII-QK260AXY6TNSC 149950

Show more names

2,5-Dimethoxytoluene>2,5-Dimethoxytoluene,99%2,5-DIMETHOXYTOLUENE 99%2,5-Dimethoxytoluene, 98+%2,5-Dimethoxytoluene 98.5%2,5-Dimethoxytoluene, GC 99%

NSC-149950DTXSID5067005Methylhydroquinone, dimethyl ether1-METHYL-2,5-DIMETHOXYBENZENEMETHYLHYDROQUINONE DIMETHYL ETHERRefChem:82924DTXCID5037105246-343-1

Database identifiers

CAS: 24599-58-4
PubChem CID: 90552
DTXSID: DTXSID5067005
UNII: QK260AXY6T
EC Number: 246-343-1
Nikkaji: J32.091I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 114

Physicochemical properties

Melting point: 19 · 19-21 °C
Boiling point: 218 · 218-220 °C/751 mmHg (lit.)
Density: 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.522(lit.)
Flash point: 215 °F · 215 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
Water Solubility: PRACTICALLY INSOLUBLE
InChI: 1S/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3
InChIKey: IQISOVKPFBLQIQ-UHFFFAOYSA-N
SMILES: COc1ccc(OC)c(C)c1
LogP: 2.636 · 2.636 (est)
CAS DataBase Reference: 24599 · 24599-58-4(CAS DataBase Reference)
FDA UNII: 260 AXY6T · QK260AXY6T
NIST Chemistry Reference: 1 · Benzene, 1,4-dimethoxy-2-methyl-(24599-58-4)
EPA Substance Registry System: 2 · 2,5-Dimethoxytoluene (24599-58-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29093090 · 29093090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzene, 1,4-dimethoxy-2-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29093090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

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

Applications · 2 items

Uses2,5-Dimethoxytoluene may be used as a reagent in the synthesis of 2,5-dimethoxy-4-methylbenzaldehyde-7-14C. Its IR spectrum has been used to establish the methyl group migration in the acid catalyzed rearrangement of 4-methoxy-4-methylcyclohexadienone.

General Description2,5-Dimethoxytoluene (1,4-dimethoxy-2-methyl benzene) is a methoxy methyl benzene derivative. It has been synthesized from 2-methylhydroquinone. It is one of the volatile constituents identified from beechwood creosote and Tuber brumale species. It is reported to be one of the thermochemolysis products in Delaware bay particles and dissolved organic matters.