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Home > Encyclopedia > 4-Hydroxy-3-methoxybenzoicacidhexylester

4-Hydroxy-3-methoxybenzoicacidhexylester

4-Hydroxy-3-methoxybenzoicacidhexylester structure

4-Hydroxy-3-methoxybenzoicacidhexylester 

structure
  • CAS No:

    84375-71-3

  • Formula:

    C14H20O4

  • Chemical Name:

    4-Hydroxy-3-methoxybenzoicacidhexylester

  • Synonyms:

    4-Hydroxy-3-methoxybenzoic acid hexyl ester;n-hexyl vanillate;HEXYL VANILLATE);3-Methoxy-4-hydroxybenzoic acid hexyl ester

4-Hydroxy-3-methoxybenzoicacidhexylester Basic Attributes

252.31

252.13615911 g/mol

DTXSID20233353

Characteristics

55.76000

3.13790

1.083 g/mL at 25 °C(lit.)

371ºC

133ºC

1.512

Safety Information

36/37/38

26-37/39

Xi

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

4-hydroxy-3-methoxybenzoic acid hexyl ester

Computed Properties

Molecular Weight:252.31
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:252.13615911
Monoisotopic Mass:252.13615911
Topological Polar Surface Area:55.8
Heavy Atom Count:18
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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