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Home > Encyclopedia > 4-(Heptyloxy)benzoic acid

4-(Heptyloxy)benzoic acid

4-(Heptyloxy)benzoic acid structure

4-(Heptyloxy)benzoic acid 

structure
  • CAS No:

    15872-42-1

  • Formula:

    C14H20O3

  • Chemical Name:

    4-(Heptyloxy)benzoic acid

  • Synonyms:

    Benzoic acid,4-(heptyloxy)-;Benzoic acid,p-(heptyloxy)-;4-(Heptyloxy)benzoic acid;p-(Heptyloxy)benzoic acid;p-Heptoxybenzoic acid;4-n-Heptyloxybenzoic acid;p-(n-Heptyloxy)benzoic acid;p-(n-Heptoxy)benzoic acid;NSC 73158

  • Categories:

    Pharmaceutical Intermediates  >  Ophthalmic Agents

Description

white crystalline powder


4-Heptyloxybenzoic acid is a member of benzoic acids.

4-(Heptyloxy)benzoic acid Basic Attributes

236.31

236.31

2211867

239-995-3

BJ0YZC8ZY8

73158

DTXSID5036636

29189900

Characteristics

46.53000

3.73400

white crystalline powder

1.0717 (rough estimate)

92-95 °C @ Solvent: Ethanol

338.77°C (rough estimate)

130.3±13.9 °C

1.5800 (estimate)

7.21E-06mmHg at 25°C

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38

37/39-26

Xi

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-(Heptyloxy)benzoic acid Use and Manufacturing

Intermediates used in the synthesis of liquid crystals (including chiral ferroelectric benzoates). Used to prepare pharmaceutical compounds.

Computed Properties

Molecular Weight:236.31
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:236.14124450
Monoisotopic Mass:236.14124450
Topological Polar Surface Area:46.5
Heavy Atom Count:17
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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