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Merck

W334804

Heptanoic acid

97%, FG

Synonym(s):

Enanthic acid, Oenanthic acid

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About This Item

Linear Formula:
CH3(CH2)5COOH
CAS Number:
111-14-8
Molecular Weight:
130.18
FEMA Number:
3348
Council of Europe no.:
28
UNSPSC Code:
12164502
PubChem Substance ID:
24901657
Flavis number:
8.028
EC Number:
203-838-7
NACRES:
NA.21
MDL number:
MFCD00004426
Beilstein/REAXYS Number:
1744723
Organoleptic:
cheesy; rancid; sour
Grade:
FG, Fragrance grade, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

Key Documents

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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

biological source

synthetic

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

Quality Level

300, 400

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Related Categories

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).

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

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

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS8153
SHBS4498
SHBS1885
SHBN5994
SHBN0299

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Carola Buccellati et al.
The Journal of pharmacology and experimental therapeutics, 317(2), 830-837 (2006-01-10)
Thromboxane (TX) A(2), prostacyclin (PGI(2)), and nitric oxide (NO) regulate platelet function and interaction with the vessel wall. Inhibition of TXA(2), implemented synthesis of PGI(2), and supply of exogenous NO may afford therapeutic benefit. 2NTX-99 [4-methoxy-N(1)-(4-trans-nitrooxycyclohexyl)-N(3)-(3-pyridinylmethyl)-1,3-benzenedicarboxamide], a new chemical entity
Dorrain Y Low et al.
Food & function, 6(8), 2464-2474 (2015-07-29)
Fruits (and vegetables) contain cellular structures that are not degraded by human digestive enzymes. Therefore, the structure of the insoluble fraction of swallowed fruits is mostly retained until intestinal microbial fermentation. In vitro fermentation of mango and banana cell structures
L Grislain et al.
European journal of drug metabolism and pharmacokinetics, 15(4), 339-345 (1990-10-01)
After oral administration of amineptine (7-[(10-11)-dihydro-5H-dibenzo(a,d)cycloheptane-5yl] amino heptanoic acid), an original tricyclic antidepressant, seven metabolites were isolated from urine and plasma of rat, dog and man. The metabolic pathways were similar for the three species studied. The two major pathways
Patricia M Jones et al.
Molecular genetics and metabolism, 81(2), 96-99 (2004-01-27)
The treatment for patients with genetic disorders of mitochondrial long-chain fatty acid beta-oxidation is directed toward providing sufficient sources of energy for normal growth and development, and at the same time preventing the adverse effects that precipitate or result from
J M MacLeod et al.
Langmuir : the ACS journal of surfaces and colloids, 31(25), 7016-7024 (2015-01-17)
The behavior of small molecules on a surface depends critically on both molecule-substrate and intermolecular interactions. We present here a detailed comparative investigation of 1,3,5-benzene tricarboxylic acid (trimesic acid, TMA) on two different surfaces: highly oriented pyrolytic graphite (HOPG) and
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