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Merck
CN

W221805

Butyl isovalerate

≥98%, FCC, FG

Synonym(s):

Butyl 3-methyl butyrate, Butyl 3-methylbutanoate, Iso valeric acid butyl ester

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About This Item

Linear Formula:
(CH3)2CHCH2COO(CH2)3CH3
CAS Number:
109-19-3
Molecular Weight:
158.24
FEMA Number:
2218
Council of Europe no.:
444
UNSPSC Code:
12164502
PubChem Substance ID:
24900928
Flavis number:
9.449
EC Number:
203-654-7
NACRES:
NA.21
MDL number:
MFCD00048775
Beilstein/REAXYS Number:
1752803
Organoleptic:
apple; green; fruity; peach; pineapple; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CCCCOC(=O)CC(C)C

InChI

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

InChI key

AYWJSCLAAPJZEF-UHFFFAOYSA-N

biological source

synthetic

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥98%

Quality Level

300, 400

bp

175 °C (lit.)

density

0.858 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

apple; green; fruity; peach; pineapple; sweet

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Related Categories

General description

Butyl isovalerate is one of the volatile compounds found in jackfruit. It is responsible for the sweet and fruity flavor of jackfruit.

Application


  • Effect of volatile organic compounds from bacteria on nematodes.: This research explores the impact of bacterial volatile organic compounds, including butyl isovalerate, on nematodes. The study reveals significant biological interactions and suggests applications in biocontrol and agricultural practices to manage nematode populations (Xu et al., 2015).

Biochem/physiol Actions

Taste at 10 ppm

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

143.6 °F - closed cup

flash_point_c

62 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT5799
SHBS3728
SHBP5026
SHBM4813
SHBL9567

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Aroma volatiles from two fruit varieties of jackfruit (Artocarpus heterophyllus Lam.)
Maia JGS, et al.
Food Chemistry, 85, 195-197 (2004)
Analysis of volatile compounds in five jackfruit (Artocarpus heterophyllus L.) cultivars using solid-phase microextraction (SPME) and gas chromatography-time-of-flight mass spectrometry (GC-TOFMS)
Ong BT, et al.
J. Food Compos. Anal., 21, 416-422 (2008)
Mosciano, G.
Perfumer & Flavorist, 24, 49-49 (1999)

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