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99-04-7

99-04-7 structural image
Product Name: m-Toluic acid
Formula: C8H8O2
Synonyms: 3-Methylbenzoic acid;m-Toluic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description M-toluic acid appears as white to yellowish crystals or mostly yellow flaky solid (with some white flakes). Has a floral-honey odor. (NTP, 1992)
Boiling Point 504 °F at 760 mmHg (sublimes) (NTP, 1992)
Melting Point 232 to 235 °F (NTP, 1992)
Solubility less than 1 mg/mL at 66 °F (NTP, 1992)
Density 1.054 at 234 °F (NTP, 1992) - Denser than water; will sink
Vapor Pressure 1 mmHg at 207 °F (NTP, 1992)
Kovats Retention Index 1249
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 136.15 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 136.052429494 g/mol
Monoisotopic Mass 136.052429494 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 131
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

PRODUCT INTRODUCTION

description

M-toluic acid appears as white to yellowish crystals or mostly yellow flaky solid (with some white flakes). Has a floral-honey odor. (NTP, 1992)

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