4-methoxybenzoic acid

CAS No. 100-09-4

Formula: C8H8O3
Basic Info

p-Anisic acid, also known as 4-methoxybenzoic acid or draconic acid, is one of the isomers of anisic acid. The term "anisic acid" often refers to this form specifically.
p-Anisic acid is found naturally in anise.
It is a white crystalline solid which is insoluble in water, highly soluble in alcohols and soluble in ether, and ethyl acetate.
p-Anisic acid has antiseptic properties. It is also used as an intermediate in the preparation of more complex organic compounds.
It is generally obtained by the oxidation of anethole or p-methoxyacetophenone.

Formula
C8H8O3
Molecular Weight
152.147
Exact Mass
152.047
LogP
1.3934
PSA
46.53
Synonyms

p-Anisc Acid

4-METHOXY BENZOIC ACID

p-Anissure

4-ANISIC ACID

FEMA 3945

4-Methoxybenzoic acid

4-METHOXY-BENZOIC ACID

Melting point standard 182-184C

P-METHOXYBENZOICACID

4-MeO-benzoic acid

Deltamethrin

BENZOIC ACID,4-METHOXY-

P-Methoxybenzoic Acid

P-Methoxy Benzoic Acid

Anisic acid

4-METHOXYBENZOICACID

p-Anisic Acid

4-METHOXYBENZOIC ACID FOR SYNTHESIS

4-METHOXYBENZOIC ACID (P-ANISIC ACID)

4-METHOXYBENZOIC ACID/P-ANISIC ACID

Benzoic acid, 4-methoxy-

draconicacid

methoxyphenyl-4-carboxylic acid

Anisic

para-methoxy benzoic acid

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Properties
Appearance & Physical State
white powder
Density
1.385
Boiling Point
275ºC
Melting Point
181-186ºC
Flash Point
185ºC
Refractive Index
1.571-1.576
Stability
Stable. Incompatible with strong oxidizing agents.
Storage Condition
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Pressure
0.002mmHg at 25°C
Safety Info
RTECS
BZ4395000
Safety Statements
S24/25
WGK Germany
1
Risk Statements
R36/37/38
HS Code
2918990090
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 400 MHz in DMSO-d6
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IR Spectrum IR : KBr disc
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,200 M,powder
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UV Spectrum UV/Visible spectrum
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
VF-5MS
Retention index
1441.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He; T<sub>start</sub>: 60. C; T<sub>end</sub>: 270. C
Reference
Todua, N.G.Retention Data. NIST Mass Spectrometry Data Center.NIST Mass Spectrometry Data Center, 2011.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
HP-5 MS
Retention index
1451.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
Reference
Jerkovic, I.Tuberso, C.I.G.Gugic, M.Bubalo, D.Composition of Sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compoundsMolecules2010, 15, 9, 6375-6385.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
HP-5MS
Retention index
1453.
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) =&gt; 2C/min =&gt; 180C =&gt; 10C/min =&gt; 250C(5min)
Reference
Alissandrakis, E.Kibaris, A.C.Tarantilis, P.A.Harizanis, P.C.Polissiou, M.Flavour compounds of Greek cotton honeyJ. Sci. Food Agric.2005, 85, 9, 1444-1452.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
CP Sil 5 CB
Retention index
1396.
Temperature Control
Method
custom temperature program
Comments
He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C =&gt; 55C/min =&gt; 85C =&gt; 1C/min =&gt; 145C =&gt; 3C/min =&gt; 250C
Reference
Guyot, C.Scheirman, V.Collin, S.Floral origin markers of heather honeys: Calluna vulgaris and Erica arboreaFood Chem.1999, 64, 1, 3-11.
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Subcutaneous
Species Observed
Rodent - mouse
Dose/Duration
400 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 31,236,1982

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