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Safety Information

W334804

Sigma-Aldrich

Heptanoic acid

97%, FG

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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

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

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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

Signal Word

Danger

Hazard Statements

H314,H332,H335

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 1

Flash Point(F)

235.4 °F

Flash Point(C)

113 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
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
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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