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Merck
CN

361666

4-(Heptyloxy)benzoic acid

98%

Synonym(s):

4-n -Heptyloxybenzoic acid, p -(Heptyloxy)benzoic acid

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About This Item

Linear Formula:
CH3(CH2)6OC6H4CO2H
CAS Number:
15872-42-1
Molecular Weight:
236.31
UNSPSC Code:
12352103
PubChem Substance ID:
24862244
EC Number:
239-995-3
MDL number:
MFCD00013992

Key Documents

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InChI key

ZRVIYEJYXIDATJ-UHFFFAOYSA-N

InChI

1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)

SMILES string

CCCCCCCOc1ccc(cc1)C(O)=O

assay

98%

form

solid

mp

146 °C (lit.)

transition temp

crystalline phase to isotropic phase 146 °C, nematic phase to smectic phase <92 °C, nematic phase to isotropic phase 98 °C

Application

Intermediate for the synthesis of liquid crystals including chiral ferroelectric benzoates. Used in the preparation of medicinal compounds.

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCF7682
MKCF7254
MKBZ6859V
MKBZ6616V
MKBV5673V

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Aldrichimica Acta, 23, 23-23 (1990)
Hyunshun Shin et al.
Bioorganic & medicinal chemistry, 15(7), 2617-2623 (2007-02-14)
The first committed step in lipid A biosynthesis is catalyzed by uridine diphosphate-(3-O-(R-3-hydroxymyristoyl))-N-acetylglucosamine deacetylase (LpxC), a zinc-dependent deacetylase, and inhibitors of LpxC may be useful in the development of antibacterial agents targeting a broad spectrum of Gram-negative bacteria. Here, we

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