W334804

Heptanoic acid

97%, 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: 1744723
• EC Number: 203-838-7
• Council of Europe no.: 28
• MDL number: MFCD00004426
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901657
• Flavis number: 8.028
• NACRES: NA.21
• grade: FG; Fragrance grade; Kosher
• biological source: synthetic
• food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Kosher
• Agency: follows IFRA guidelines
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 173.315
• vapor density: 4.5 (vs air)
• vapor pressure: <0.1 mmHg ( 20 °C)
• Assay: 97%
• 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
• fragrance 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

Application

• Metabolome-wide association study identifies multiple biomarkers that discriminate north and south Chinese populations at differing risks of cardiovascular disease: INTERMAP study.: This study includes heptanoic acid as a metabolic biomarker to distinguish dietary patterns and cardiovascular risks, reflecting its importance in metabolic profiling and epidemiological studies (Yap et al., 2010).

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H314,H332,H335
• Precautionary Statements: 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 Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 1
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves