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111023

Sigma-Aldrich

4-Methylheptane

99%

Synonym(s):

4-methyl-heptane

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About This Item

Linear Formula:
(CH3CH2CH2)2CHCH3
CAS Number:
589-53-7
Molecular Weight:
114.23
Beilstein/REAXYS Number:
1696874
EC Number:
209-650-1
MDL number:
MFCD00009409
UNSPSC Code:
12352100
PubChem Substance ID:
24847005
NACRES:
NA.22

vapor pressure

0.77 psi ( 37.7 °C)

Quality Level

100

assay

99%

refractive index

n20/D 1.398 (lit.)

bp

117-118 °C (lit.)

mp

−121 °C (lit.)

density

0.705 g/mL at 25 °C (lit.)

SMILES string

CCCC(C)CCC

InChI

1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3

InChI key

CHBAWFGIXDBEBT-UHFFFAOYSA-N

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Application

4-Methylheptane was used as a reference substance to identify the volatile organic compounds (VOCs) in the headspace of cultures containing different MAP strains, using solid phase micro extraction and gas chromatography/mass spectrometry (SPME-GC-MS).

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Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

39.2 °F - closed cup

flash_point_c

4 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT0160
MKCP8915
06112KP
02806ES
02030KX

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Nirmal Khadka et al.
Microorganisms, 8(10) (2020-10-01)
Recent phylogenetic studies have transferred certain isolates from monocot plants previously included in the heterogeneous group of Pectobacteriumcarotovorum (Pc) to a species level termed Pectobacterium aroidearum. The specificity of Pectobacterium associated infections had received less attention, and may be of
Phillip Trefz et al.
PloS one, 8(10), e76868-e76868 (2013-10-12)
Control of paratuberculosis in livestock is hampered by the low sensitivity of established direct and indirect diagnostic methods. Like other bacteria, Mycobacterium avium subsp. paratuberculosis (MAP) emits volatile organic compounds (VOCs). Differences of VOC patterns in breath and feces of

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