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363200

Sigma-Aldrich

4-(Octyloxy)benzoic acid

98%

Synonym(s):

4-n -Octyloxybenzoic acid, p -Octoxybenzoic acid, p -(Octyloxy)benzoic acid

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About This Item

Linear Formula:
CH3(CH2)7OC6H4CO2H
CAS Number:
2493-84-7
Molecular Weight:
250.33
MDL number:
MFCD00013993
UNSPSC Code:
12352103
PubChem Substance ID:
24862355
NACRES:
NA.23

Assay

98%

form

liquid crystal

mp

101-105 °C (lit.)

transition temp

crystalline phase to smectic phase 101 °C
smectic phase to nematic phase 108 °C
nematic phase to isotropic phase 147 °C

SMILES string

CCCCCCCCOc1ccc(cc1)C(O)=O

InChI

1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)

InChI key

IALWCYFULVHLEC-UHFFFAOYSA-N

Application

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT8633
MKBN9081V
MKAA1821
06319LD
14313BN

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Aldrichimica Acta, 23, 23-23 (1990)

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