W334812

Heptanoic acid

natural, FG

• Synonym(s): Enanthic acid, Oenanthic acid
• Linear Formula: CH₃(CH₂)₅COOH
• CAS Number: 111-14-8
• Molecular Weight: 130.18
• FEMA Number: 3348
• Beilstein/REAXYS Number: 1744723
• EC Number: 203-838-7
• MDL number: MFCD00004426
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901658
• Flavis number: 8.028
• NACRES: NA.21

Properties

• grade: FG; Halal; Kosher; natural
• Quality Level: 400
• agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002
• vapor density: 4.5 (vs air)
• vapor pressure: <0.1 mmHg ( 20 °C)
• expl. lim.: 10.1 %
• refractive index: n20/D 1.4221 (lit.)
• bp: 223 °C (lit.)
• mp: −10.5 °C (lit.)
• density: 0.918 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: cheesy; rancid; sour
• SMILES string: CCCCCCC(O)=O
• InChI: 1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
• InChI key: MNWFXJYAOYHMED-UHFFFAOYSA-N

Description

General description

Heptanoic acid is a short-chain fatty acid mainly found in the flavor volatiles of cheese, green tea, fruits of Malpighia glabra L and flowers of oyster rhoeo.

Application

• Identification of Short-Chain Fatty Acids for Predicting Preterm Birth in Cervicovaginal Fluid Using Mass Spectrometry.: This research identifies Heptanoic acid among other biomarkers in cervicovaginal fluid that could predict preterm birth, demonstrating its potential in prenatal diagnostics (Hur et al., 2024) (Hur et al., 2024).

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H314,H332,H335
• pcodes: P261 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Eye Dam. 1 - Skin Corr. 1B - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 1
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter