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MilliporeSigma

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 Level

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



Certificates of Analysis (COA)

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Global Trade Item Number

SKUGTIN
800198000504022536356433
800198025004022536356440
800198100004022536356457
800198902604027269144289
800198999904022536356471