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3-Methylanisole

3-Methylanisole structure

CAS No:
100-84-5
Formula:
C8H10O
Chemical Name:
3-Methylanisole
Synonyms:
Benzene,1-methoxy-3-methyl-;Anisole,m-methyl-;1-Methoxy-3-methylbenzene;m-Methylanisole;Methyl m-tolyl ether;3-Methylanisole;m-Cresol methyl ether;3-Methoxytoluene;m-Methoxytoluene;m-Cresyl methyl ether;3-Methyl-1-methoxybenzene;3-Cresol methyl ether;m-Methylanisole;NSC 6255;3-Methoxy-1-methylbenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colourless liquid

1-Methoxy-3-methylbenzene is a member of methoxybenzenes.

3-Methylanisole Basic Attributes

Molecular Weight：

122.16

Exact Mass：

122.16

BRN：

907023

EC Number：

202-893-4

UNII：

UI9I3Y6WTZ

NSC Number：

6255

DSSTox ID：

DTXSID2051500

HScode：

2909309090

Characteristics

PSA：

9.2

XLogP3：

2.59

Appearance：

clear to slightly yellow liquid

Density：

0.9716 g/cm³

Melting Point：

-47 °C

Boiling Point：

175.5 °C

Flash Point：

130 °F

Refractive Index：

n 20/D 1.513(lit.)

Water Solubility：

Soluble in alcohol and insoluble in water.

Storage Conditions：

Flammables area

Vapor Pressure：

1.8mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-22

safety instructions：

16-23-24/25

RTECS Number：

BZ8778000

Marks：

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226-H302

RIDADR：

UN 1993

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 48 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD - Lethal dose	Intraperitoneal	Rodent - mouse	>500 mg/kg	Details of toxic effects not reported other than lethal dose value--	Summary Tables of Biological Tests, National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,214,1954

Drug Information

MeSH Entry Terms：

3-methoxytoluene

3-Methylanisole Use and Manufacturing

Uses

Mainly used in the synthesis of dyes and pharmaceutical intermediates

Manufacturing Info：

Benzene, 1-methoxy-3-methyl-: ACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Packed	Apiezon L	1020.	100.	isothermal	Chromatone N AW DNCS	Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192.
Kovats' RI, non-polar column, isothermal	Packed	Apiezon L	1036.	150.	isothermal	Chromatone N AW DNCS	Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192.
Kovats' RI, non-polar column, isothermal	Packed	Apiezon M	1029.6		custom temperature program	Chromosorb W; Column length: 2. m; Program: not specified	Jalali-Heravi, M.Garkani-Nejad, Z.Prediction of gas chromatographic retention indices of some benzene derivativesJ. Chromatogr.1993, 648, 2, 389-393.
Kovats' RI, non-polar column, isothermal	Capillary	OV-1	999.1		temperature ramp	8. K/min; T_start: 35. C; T_end: 300. C	Gautzsch, R.Zinn, P.Use of incremental models to estimate the retention indexes of aromatic compoundsChromatographia1996, 43, 3/4, 163-176.
Kovats' RI, non-polar column, isothermal	Capillary	HP-5	1028.		temperature ramp	35. C @ 2. min, 6. K/min; T_end: 200. C	Larsen, T.O.Frisvad, J.C.Characterization of volatile metabolites from 47 Penicillium taxaMycol. Res.1995, 99, 10, 1153-1166.

Computed Properties

Molecular Weight:122.16
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:122.073164938
Monoisotopic Mass:122.073164938
Topological Polar Surface Area:9.2
Heavy Atom Count:9
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

Price Analysis

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CAS No.: 100-84-5

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Content: 99%

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