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306991

Sigma-Aldrich

Isopropyl butyrate

99%

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About This Item

Linear Formula:
CH3CH2CH2CO2CH(CH3)2
CAS Number:
638-11-9
Molecular Weight:
130.18
EC Number:
211-320-7
MDL number:
MFCD00009390
UNSPSC Code:
12352100
PubChem Substance ID:
24858553
NACRES:
NA.22

vapor pressure

6 mmHg ( 20 °C)

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.393 (lit.)

bp

130-131 °C (lit.)

density

0.859 g/mL at 25 °C (lit.)

functional group

ester

SMILES string

CCCC(=O)OC(C)C

InChI

1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3

InChI key

FFOPEPMHKILNIT-UHFFFAOYSA-N

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General description

Isopropyl butyrate is an electroantennographic detection (EAD) active compound that was identified by GC-mass spectrometry. It is attractive to both sexes of West Indian fruit fly, Anastrepha obliqua (Macquart) (Diptera: Tephritidae).

Application

Isopropyl butyrate was used as intravaginal taggant in the study of "breath test" for vaginal gel use.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

75.2 °F

Flash Point(C)

24 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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.

FSL

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

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

306991-500ML:
306991-VAR:
306991-100ML:
306991-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK0663
STBH5213
STBH4405
STBH3363
STBF9702V

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Timothy E Morey et al.
Journal of clinical pharmacology, 53(1), 103-111 (2013-02-13)
Adherence to microbicide gel use is critical to optimizing effectiveness in preventing human immunodeficiency virus transmission. The authors hypothesized that ester taggants added to vaginal gels would generate exhaled alcohol and ketone metabolites and provide a "breath test" for vaginal
Leopoldo Cruz-López et al.
Journal of chemical ecology, 32(2), 351-365 (2006-03-24)
Nonirradiated males and females of Anastrepha obliqua (Macquart) were attracted to and landed more frequently on ripe fruits of Spondias mombin L. than on artificial fruit in wind tunnel bioassays. Porapak Q volatile extracts of S. mombin were also attractive
Jorge Toledo et al.
Journal of economic entomology, 102(6), 2072-2077 (2010-01-15)
Previous studies have shown that a nine-component blend (ethyl butyrate, isopropyl butyrate, hexan-1-ol, propyl butyrate, isobutyl butyrate, ethyl hexanoate, isopentyl butyrate, ethyl benzoate, and ethyl octanoate) isolated from Spondias mombin L. (Anacardiaceae) fruit are attractive to both sexes of West

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