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Merck

8.14724

Isoamyl butyrate

for synthesis

Synonym(s):

Isoamyl butyrate, Butyric acid (3-methylbutyl ester)

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About This Item

Linear Formula:
CH3CH2CH2COOCH2CH2CH(CH3)2
CAS Number:
Molecular Weight:
158.24
UNSPSC Code:
12352108
EC Index Number:
203-380-8
NACRES:
NA.22
MDL number:
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vapor pressure

1.1 hPa ( 20 °C)

Quality Segment

assay

≥98.0% (GC)

form

liquid

potency

>5000 mg/kg LD50, oral (Rat), >5000 mg/kg LD50, skin (Rabbit)

mp

-73 °C

transition temp

flash point 59 °C

solubility

0.5 g/L

density

0.88 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

O(CCC(C)C)C(=O)CCC

InChI

1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3

InChI key

PQLMXFQTAMDXIZ-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.860 - 0.864
Identity (IR): passes test


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pictograms

Flame

signalword

Warning

Hazard Classifications

Aquatic Chronic 3 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

138.2 °F

flash_point_c

59 °C

hcodes


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.

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water insoluble liquid

fsl



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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