Methyl p-toluate

Description

Methyl p-toluate · CAS 99-75-2 · C9H10O2. UNII 964JP0ZZRG. Boiling Point: 423 °F at 760 mmHg (NTP, 1992); Boiling Point: 222.5 °C @ 760 MM HG; Melting Point: 91 °F (NTP, 1992).

Identification

CAS Registry Number	99-75-2
PubChem CID	7455
Molecular formula	C9H10O2
IUPAC name	methyl 4-methylbenzoate
UNII (FDA)	964JP0ZZRG

Computed Descriptors

Molecular Weight	150.17
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	26.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	423 °F at 760 mmHg (NTP, 1992)
Boiling Point	222.5 °C @ 760 MM HG
Melting Point	91 °F (NTP, 1992)
Melting Point	33.2 °C
Flash Point	204 °F (NTP, 1992)
Density	1.058 @ 25 °C/15.6 °C
Vapor Pressure	0.16 [mmHg]
LogP	2.7

Physical description & handling notes

• Opaque colorless to white shiny crystalline solid. Intense unpleasant odor. (NTP, 1992)
• White solid; mp = 34 deg C; [Hawley] Colorless to white solid with a strong unpleasant odor; [CAMEO] Colorless crystalline solid; mp = 32-35 deg C; [MSDSonline]
• CRYSTALS FROM AQ METHANOL OR PETROLEUM ETHER
• WHITE CRYSTALLINE SOLID
• less than 1 mg/mL at 72 °F (NTP, 1992)
• INSOL IN WATER; VERY SOL IN ALCOHOL, ETHER

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents
GHS notification summary	7.2% (12 / 166)

GHS Hazard Classification

GHS notification summary	7.2% (12 / 166)
Reported hazard statements	H315 (92.8%), H319 (69.9%), H335 (69.3%)

Documented Uses

• Used in organic synthesis and as a fragrance for consumer products; [HSDB]
• UNISOLATED CHEM INT FOR MFR OF DIMETHYL TEREPHTHALATE
• FRAGRANCE, EG, FOR PERFUMES, SOAPS, DETERGENTS & CREAMS
• PRODUCED AS AN ISOLATED OR RECYCLED BYPRODUCT OF DIMETHYL TEREPHTHALATE MFR BY OXIDATION OF P-XYLENE & ESTERIFICATION OF METHYL ALCOHOL
• (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
• (1982) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Synonyms

METHYL 4-METHYLBENZOATE; Methyl p-toluate; 99-75-2; Methyl-p-toluate; Methyl 4-toluate; 4-Methylbenzoic acid methyl ester; Methyl p-methylbenzoate; p-Carbomethoxytoluene; Benzoic acid, 4-methyl-, methyl ester; p-Toluic acid, methyl ester; Methyl p-toluenecarboxylate; p(Methoxycarbonyl)toluene; NSC 24761; CCRIS 6071; DTXSID4025668; HSDB 5327

Frequently Asked Questions

What are the CAS number and molecular formula of Methyl p-toluate?

CAS 99-75-2; molecular formula C9H10O2; molecular weight — g/mol.

What other names is Methyl p-toluate known by?

METHYL 4-METHYLBENZOATE, Methyl p-toluate, 99-75-2, Methyl-p-toluate, Methyl 4-toluate, 4-Methylbenzoic acid methyl ester.

What is the regulatory status of Methyl p-toluate?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is Methyl p-toluate classified as hazardous?

7.2% of GHS notifications report no hazard classification (12 of 166).

What are the key physical properties of Methyl p-toluate?

Boiling Point: 423 °F at 760 mmHg (NTP, 1992); Boiling Point: 222.5 °C @ 760 MM HG; Melting Point: 91 °F (NTP, 1992); Melting Point: 33.2 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.