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Methyl 4-methoxybenzoate

Methyl 4-methoxybenzoate structure

CAS No:
121-98-2
Formula:
C9H10O3
Chemical Name:
Methyl 4-methoxybenzoate
Synonyms:
Benzoic acid,4-methoxy-,methyl ester;p-Anisic acid,methyl ester;Methyl p-methoxybenzoate;Methyl p-anisate;Methyl 4-methoxybenzoate;p-Methoxybenzoic acid methyl ester;4-Methoxybenzoic acid methyl ester;4-(Methoxycarbonyl)anisole;NSC 7324
Categories:
Cosmetic Ingredient > Perfuming

Description

Methyl anisate is an endogenous metabolite.

Methyl anisate is the methyl ester of p-anisic acid.

Solid|white crystals with a sweet, floral odour

Methyl p-anisate is a benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol. It is a benzoate ester and a monomethoxybenzene. It derives from a 4-methoxybenzoic acid.

Methyl 4-methoxybenzoate Basic Attributes

Molecular Weight：

166.17

Exact Mass：

166.17

BRN：

2208571

EC Number：

204-513-2

UNII：

2MFL7873W9

NSC Number：

7324

DSSTox ID：

DTXSID7047645

HScode：

2918990090

Characteristics

PSA：

35.5

XLogP3：

2.3

Appearance：

Solid

Density：

1.1±0.1 g/cm3

Melting Point：

49 °C

Boiling Point：

256 °C

Flash Point：

>230 °F

Refractive Index：

1.503

Water Solubility：

0.643 mg/mL at 20 °C

Storage Conditions：

Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.000741mmHg at 25°C

Toxicity：

Oral-rat LD50: > 5000 mg/kg; Skin-rabbit LD50: >5000 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Packing level：

III

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25

RTECS Number：

BZ4925000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

S24/25

Toxicity

Toxicity class：

practically nontoxic

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
SKIN/EYE IRRITATION DATA	Standard Draize test	Administration onto the skin	Rodent - rabbit	500 mg/24H	--	Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,481,1976
SKIN/EYE IRRITATION DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - rat	>5 gm/kg	Details of toxic effects not reported other than lethal dose value--	Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,481,1976
SKIN/EYE IRRITATION DATA	LD50 - Lethal dose, 50 percent kill	Administration onto the skin	Rodent - rabbit	>5 gm/kg	Details of toxic effects not reported other than lethal dose value--	Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,481,1976

Drug Information

MeSH Entry Terms：

methyl 4-anisate

Methyl 4-methoxybenzoate Use and Manufacturing

Uses

Used in pharmaceutical intermediates and organic synthesis.

Manufacturing Info：

Benzoic acid, 4-methoxy-, methyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:166.17
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:35.5
Heavy Atom Count:12
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

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CAS No.: 121-98-2

Grade: Food Grade

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CAS No.: 121-98-2

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CAS No.: 121-98-2

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Guide of Methyl 4-methoxybenzoate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Synthesis Route
Recommended Suppliers
Learn More Other Chemicals

Methyl 4-methoxybenzoate

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