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Product No: AB1514

4-Methoxybenzoic acid, 95%

Name: 4-Methoxybenzoic acid
Brand: Chempure

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CAS Number

100-09-4

Molecular Weight

152.15

Formula

CH3OC6H4CO2H

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About this item

IUPAC name	4-methoxybenzoic acid
canonical smiles	COC1=CC=C(C=C1)C(=O)O
inchi	InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
inchi key	ZEYHEAKUIGZSGI-UHFFFAOYSA-N
molecular formula	C8H8O3
synonyms	4-METHOXYBENZOIC ACID p-Anisic acid 100-09-4 ANISIC ACID p-Methoxybenzoic acid
Compound Description	4-methoxybenzoic acid is a methoxybenzoic acid substituted with a methoxy group at position C-4. It has a role as a plant metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 4-methoxybenzoate. 4-Methoxybenzoic acid is a natural product found in Rhododendron dauricum, Aconitum forrestii, and other organisms with data available. Anisic acid is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Stevia rebaudiuna Leaf .

Computed Properties

Molecular Weight:	152.15 g/mol
XLogP3:	2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	152.047344113 g/mol
Monoisotopic Mass:	152.047344113 g/mol
Topological Polar Surface Area:	46.5 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	136
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Glutaric acid

Nicotinic acid

Propylparaben

Butylparaben

Methylparaben

1-Chloro-4-nitrobenzene

4-Aminobenzoic acid

4-Hydroxybenzoic acid

Gallic Acid

Terephthalic acid

Ethylparaben

Vanillic Acid

Fusaric acid

Trigonelline

Isonicotinic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (91.3%) Skin Irrit. 2 (100%) Eye Irrit. 2A (95.03%) STOT SE 3 (53.42%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.03%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (53.42%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Safe when used as a flavoring agent in food. A skin and strong eye irritant. Harmful by ingestion.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	4-methoxybenzoic acid
canonical smiles	COC1=CC=C(C=C1)C(=O)O
inchi	InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
inchi key	ZEYHEAKUIGZSGI-UHFFFAOYSA-N
molecular formula	C8H8O3
synonyms	4-METHOXYBENZOIC ACID p-Anisic acid 100-09-4 ANISIC ACID p-Methoxybenzoic acid
Compound Description	4-methoxybenzoic acid is a methoxybenzoic acid substituted with a methoxy group at position C-4. It has a role as a plant metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 4-methoxybenzoate. 4-Methoxybenzoic acid is a natural product found in Rhododendron dauricum, Aconitum forrestii, and other organisms with data available. Anisic acid is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Stevia rebaudiuna Leaf .

Computed Properties

Molecular Weight:	152.15 g/mol
XLogP3:	2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	152.047344113 g/mol
Monoisotopic Mass:	152.047344113 g/mol
Topological Polar Surface Area:	46.5 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	136
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Glutaric acid

Nicotinic acid

Propylparaben

Butylparaben

Methylparaben

1-Chloro-4-nitrobenzene

4-Aminobenzoic acid

4-Hydroxybenzoic acid

Gallic Acid

Terephthalic acid

Ethylparaben

Vanillic Acid

Fusaric acid

Trigonelline

Isonicotinic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (91.3%) Skin Irrit. 2 (100%) Eye Irrit. 2A (95.03%) STOT SE 3 (53.42%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.03%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (53.42%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Safe when used as a flavoring agent in food. A skin and strong eye irritant. Harmful by ingestion.

Product No: AB1514

4-Methoxybenzoic acid, 95%

Product No: AB1514

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AB1514

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?