W370908

Methyl nicotinate

≥99%, FG

• Synonym(s): Nicotinic acid methyl ester
• Empirical Formula (Hill Notation): C₇H₇NO₂
• CAS Number: 93-60-7
• Molecular Weight: 137.14
• FEMA Number: 3709
• Beilstein/REAXYS Number: 113951
• EC Number: 202-261-8
• MDL number: MFCD00006388
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901852
• Flavis number: 14.071
• NACRES: NA.21
• organoleptic: herbaceous; tobacco
• grade: FG; Fragrance grade; Kosher
• biological source: synthetic
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Level: 300; 400
• grade: FG; Fragrance grade; Kosher
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002
• assay: ≥99%
• form: powder or crystals
• color: white
• bp: 204 °C (lit.)
• mp: 42-44 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• organoleptic: herbaceous; tobacco
• SMILES string: COC(=O)c1cccnc1
• InChI: 1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
• InChI key: YNBADRVTZLEFNH-UHFFFAOYSA-N

Description

General description

Methyl nicotinate (MN) is a methyl ester of nicotinic acid (NA). It is an urticant which is capable of transdermal penetration to produce vasodilation through the production of prostaglandin D2 (PGD2).[1][2]

Application

Methyl nicotinate (MN) may be used as an internal standard for the high performance chromatography (HPLC) determination of 6-methylcoumarin and 3-pyridine methanol in toiletries[3] and gas chromatographic-mass spectrometric quantification of nicotine in Hookah (water pipe) tobacco products.[4]

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• ppe: dust mask type N95 (US), Eyeshields, Gloves