methyl 4-formyl benzoate

benzoic acid, 4-formyl-, methyl ester

CAS: 1571-08-0 C9 H8 O3 MW: 164.16036000

Identification

Namemethyl 4-formyl benzoate
IUPACmethyl 4-formylbenzoate
CAS Number1571-08-0
EINECS216-385-5
FDA UNIINH766742VV
Molecular FormulaC9 H8 O3
Molecular Weight164.16036000
MDL NumberMFCD00006950
Nikkaji NumberJ47.044I
Beilstein0775895
XlogP31.70 (est)

Regulatory

Physical Properties

Appearance white powder (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 265.00 °C. @ 760.00 mm Hg (est)
Flash Point 253.00 °F. TCC ( 122.50 °C. ) (est)
logP (o/w) 2.050 (est)
Soluble in water, 3136 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorynatural substances and extractives
Recommendation for methyl 4-formyl benzoate usage levels up tonot for fragrance use.
Recommendation for methyl 4-formyl benzoate flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

found in nature

Synonyms

benzoic acid, 4-formyl-, methyl ester 4- carbomethoxybenzaldehyde p- carbomethoxybenzaldehyde 4- carboxybenzaldehyde methyl ester p- formylbenzoic acid methyl ester 4-( methoxycarbonyl)benzaldehyde 2- methoxycarbonylbenzaldehyde methyl 4-formylbenzoate methyl benzaldehyde-4-carboxylate methyl p-formylbenzoate methyl terephthalaldehydate methyl terephthaldehydate terephthalaldehydic acid, methyl ester PubMed: Synthesis, spectral analysis, structural elucidation and quantum chemical studies of (E)-methyl-4-[(2-phenylhydrazono)methyl]benzoate. PubMed: New analytical method for the study of metabolism of swertiamarin in rats after oral administration by UPLC-TOF-MS following DNPH derivatization. PubMed: Two main metabolites of gentiopicroside detected in rat plasma by LC-TOF-MS following 2,4-dinitrophenylhydrazine derivatization. PubMed: Organocatalysis by bimacrocyclic NHCs: unexpected formation of a cyclic hemiacetal instead of a gamma-butyrolactone. PubMed: Synthesis and discovery of high affinity folate receptor-specific glycinamide ribonucleotide formyltransferase inhibitors with antitumor activity. PubMed: Synthesis and GIAO NMR calculations for some new 4,5-dihydro-1H-1,2,4-triazol-5-one derivatives: comparison of theoretical and experimental 1H and 13C chemical shifts. PubMed: Solid-phase synthesis of 1-substituted tetrahydroisoquinoline derivatives employing BOC-protected tetrahydroisoquinoline carboxylic acids. PubMed: The preparation of a series of nitrostilbene ester compounds using micro reactor technology. PubMed: Effect of bridge region variation on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines.