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Merck
CN

U806

Undecanoic γ-lactone

99%

Synonym(s):

Aldehyde C14

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About This Item

Empirical Formula (Hill Notation):
C11H20O2
CAS Number:
104-67-6
Molecular Weight:
184.28
NACRES:
NA.22
PubChem Substance ID:
24900667
UNSPSC Code:
12352100
EC Number:
203-225-4
MDL number:
MFCD00005405

Key Documents

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Product Name

Undecanoic γ-lactone, 99%

InChI key

PHXATPHONSXBIL-UHFFFAOYSA-N

InChI

1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3

SMILES string

CCCCCCCC1CCC(=O)O1

assay

99%

refractive index

n20/D 1.45 (lit.)

bp

164-166 °C/13 mmHg (lit.)

density

0.949 g/mL at 25 °C (lit.)

Quality Level

100

Gene Information

human ... CYP1A2(1544)

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Related Categories

hcodes

H412

Hazard Classifications

Aquatic Chronic 3

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

293.0 °F - closed cup

flash_point_c

145 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2999
SHBP2299
SHBN5337
MKBH6325V
53296MJ

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Laura E Korhonen et al.
Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)
The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the

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