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

Key Documents

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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).

Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

39.2 °F - closed cup

Flash Point(C)

4 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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