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332976

Sigma-Aldrich

4-Propylbenzoic acid

97%

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About This Item

Linear Formula:
CH3CH2CH2C6H4CO2H
CAS Number:
2438-05-3
Molecular Weight:
164.20
MDL number:
MFCD00013996
UNSPSC Code:
12352100
PubChem Substance ID:
24860093
NACRES:
NA.22

Assay

97%

mp

142-144 °C (lit.)

functional group

carboxylic acid

SMILES string

CCCc1ccc(cc1)C(O)=O

InChI

1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)

InChI key

ATZHGRNFEFVDDJ-UHFFFAOYSA-N

Application

4-Propylbenzoic acid was used in the preparation of [2,7-dimethoxy-8-(4-propylbenzoyl)naphthalen-1-yl](4-propylphenyl)-methanone.

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

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Certificates of Analysis (COA)

Lot/Batch Number
1438906V
1438901V
1438906
1438901
1437466

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Kosuke Sasagawa et al.
Acta crystallographica. Section E, Structure reports online, 68(Pt 8), o2596-o2596 (2012-08-21)
In the title compound, C(32)H(32)O(4), the 4-propyl-benzoyl groups at the 1- and 8-positions of the naphthalene ring system are aligned almost anti-parallel, and their benzene rings make a dihedral angle of 8.64 (10)°. The dihedral angles between the naphthalene ring system

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