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Merck
CN

W255904

Hexanoic acid

≥98%, FCC, FG

Synonym(s):

Acid C6, Caproic acid

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About This Item

Linear Formula:
CH3(CH2)4COOH
CAS Number:
142-62-1
Molecular Weight:
116.16
FEMA Number:
2559
Beilstein:
773837
EC Number:
205-550-7
Council of Europe no.:
9c
MDL number:
MFCD00004421
UNSPSC Code:
12164502
PubChem Substance ID:
24901147
Flavis number:
8.009
NACRES:
NA.21
Organoleptic:
cheese; fatty; sour
Grade:
FG
Halal
Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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biological source

synthetic

Quality Level

300
400

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

4 (vs air)

vapor pressure

0.18 mmHg ( 20 °C)

Assay

≥98%

refractive index

n20/D 1.4161 (lit.)

bp

202-203 °C (lit.)

mp

−4 °C (lit.)

density

0.927 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

cheese; fatty; sour

SMILES string

CCCCCC(O)=O

InChI

1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

InChI key

FUZZWVXGSFPDMH-UHFFFAOYSA-N

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General description

Hexanoic acid is a precursor of ethyl caproate, the key flavor constituent of Chinese strong-flavored liquor (CSFL).

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1C

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

215.6 °F - closed cup

Flash Point(C)

102 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
SHBT2715
SHBS3380
SHBR9602
SHBQ2053
SHBQ2052

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  1. Which document(s) contains shelf-life or expiration date information for a given product?

    If available for a given product, the recommended re-test date or the expiration date can be found on the Certificate of Analysis.

  2. How do I get lot-specific information or a Certificate of Analysis?

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    Transportation information can be found in Section 14 of the product's (M)SDS.To access the shipping information for this material, use the link on the product detail page for the product. 

  5. What is the molarity of hexanoic acid?

    Based on density of 0.927 g/mL and MW of 116.16, the effective molarity of this neat liquid is 7.98 M.

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Olfactometry profiles and quantitation of volatile sulfur compounds of Swiss tilsit cheeses.
Fuchsmann P, et al.
Journal of Agricultural and Food Chemistry, 63(34), 7511-7521 (2015)
Prokaryotic communities in pit mud from different-aged cellars used for the production of Chinese strong-flavored liquor.
Tao Yong, et al.
Applied and Environmental Microbiology, 80(7), 2254-2260 (2014)
Pierre Daumar et al.
Bioconjugate chemistry, 23(8), 1557-1566 (2012-07-13)
Solid tumors often develop an acidic microenvironment, which plays a critical role in tumor progression and is associated with increased level of invasion and metastasis. The 37-residue pH (low) insertion peptide (pHLIP) is under study as an imaging platform because
A C Schoots et al.
Journal of chromatography, 164(1), 1-8 (1979-09-11)
A fast and reliable procedure for gas chromatographic profiling of components in ultrafiltrated uremic serum has been developed, using glass capillary columns. Sample pretreatment consists of ultrafiltration, evaporation and silylation. Some twenty components are identified by electron-impact and chemical ionization
Przemysław Drzewicz et al.
Environmental science & technology, 46(16), 8984-8991 (2012-07-18)
Large volumes of oil sands process-affected water (OSPW) are produced during the extraction of bitumen from oil sands in Alberta, Canada. The degradation of a model naphthenic acid, cyclohexanoic acid (CHA), and real naphthenic acids (NAs) from OSPW were investigated
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