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Merck
CN

111023

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847005
EC Number:
209-650-1
Beilstein/REAXYS Number:
1696874
MDL number:
MFCD00009409
Assay:
99%

Key Documents

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InChI key

CHBAWFGIXDBEBT-UHFFFAOYSA-N

InChI

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

SMILES string

CCCC(C)CCC

vapor pressure

0.77 psi ( 37.7 °C)

assay

99%

Quality Level

100

bp

117-118 °C (lit.)

mp

−121 °C (lit.)

density

0.705 g/mL at 25 °C (lit.)

Related Categories

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).

signalword

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

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCT0160
MKCP8915
06112KP
14528CR
06611PS

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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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