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649899

Sigma-Aldrich

1-(3-Methoxyphenyl)-1-heptanone

97%

Synonym(s):

1-(3-Methoxyphenyl)heptan-1-one, 3-Heptanoylanisole

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About This Item

Empirical Formula (Hill Notation):
C14H20O2
CAS Number:
100863-37-4
Molecular Weight:
220.31
MDL number:
MFCD08276976
UNSPSC Code:
12352100
PubChem Substance ID:
24883717
NACRES:
NA.22

assay

97%

bp

139-144 °C/0.5 mmHg (lit.)

SMILES string

CCCCCCC(=O)c1cccc(OC)c1

InChI

1S/C14H20O2/c1-3-4-5-6-10-14(15)12-8-7-9-13(11-12)16-2/h7-9,11H,3-6,10H2,1-2H3

InChI key

FIRIFBOVXOXLTG-UHFFFAOYSA-N

Related Categories

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

>230.0 °F - closed cup

flash_point_c

> 110 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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