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Merck

8.00198

Hexanoic acid

for synthesis

Synonym(s):

Hexanoic acid, Caproic acid

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About This Item

Empirical Formula (Hill Notation):
C6H12O2
CAS Number:
Molecular Weight:
116.16
UNSPSC Code:
12352106
EC Index Number:
205-550-7
NACRES:
NA.22
MDL number:
Assay:
≥98.0% (GC)
Form:
liquid
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vapor pressure

0.3 hPa ( 20 °C)

Quality Segment

assay

≥98.0% (GC)

form

liquid

autoignition temp.

380 °C

potency

1906 mg/kg LD50, oral (Rat), 586 mg/kg LD50, skin (Rabbit)

pH

4 (20 °C, 1 g/L in H2O)

bp

206 °C/1013 hPa

mp

-3 °C

transition temp

flash point 110 °C

density

0.93 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

OC(=O)CCCCC

InChI

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

InChI key

FUZZWVXGSFPDMH-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.926 - 0.927
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.


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pictograms

Corrosion

signalword

Danger

hcodes

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1C

Storage Class

8A - Combustible, corrosive hazardous materials

wgk

WGK 1

flash_point_f

215.6 °F - closed cup

flash_point_c

102 °C - closed cup


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Deleterious substance

pdsc

Flammable liquids + Type 3 petroleums + Hazardous rank III + Water soluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified



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