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Merck
CN

W334812

庚酸

greener alternative

natural, FG

别名:

正庚酸, 葡萄花酸

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关于此项目

线性分子式:
CH3(CH2)5COOH
化学文摘社编号:
111-14-8
分子量:
130.18
Flavis number:
8.028
PubChem Substance ID:
24901658
UNSPSC Code:
12164502
FEMA Number:
3348
NACRES:
NA.21
EC Number:
203-838-7
MDL number:
MFCD00004426
Beilstein/REAXYS Number:
1744723
Organoleptic:
cheesy; rancid; sour
Grade:
FG
Halal
Kosher
natural
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

主要文件

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产品名称

庚酸, natural, FG

InChI key

MNWFXJYAOYHMED-UHFFFAOYSA-N

InChI

1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)

SMILES string

CCCCCCC(O)=O

grade

FG
Halal
Kosher
natural

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 %

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

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

greener alternative category

Aligned

organoleptic

cheesy; rancid; sour

Quality Level

300
400

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相关类别

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).

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.
We are committed to bringing you greener alternative products, which adhere to one or more of the 12 Principles of Green Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

target_organs

Respiratory system

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

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

存储类别

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

法规信息

危险化学品
此项目有

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBS9522
SHBR6795
SHBQ4336
SHBM2000
SHBL3501

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Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion.
Shimoda M, et al.
Journal of Agricultural and Food Chemistry, 43(6), 1616-1620 (1995)
Quantitative changes in volatile components of green tea during development of tea shoots.
Oyaizu T, et al.
Journal of the Japanese Society for Food Science and Technology (2002)
Volatile constituents of fruits of Malpighia glabra L.
Casadebaig J, et al.
J. Essent. Oil Res., 12(6), 677-678 (2000)
A rapid method for the quantitative determination of short-chain free volatile fatty acids from cheese.
Innocente N, et al.
Journal of Agricultural and Food Chemistry, 48(8), 3321-3323 (2000)
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
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