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4547-57-3

4547-57-3 Structure

4547-57-3 Structure
IdentificationMore
[Name]

4-N-BUTOXYPHENYLACETIC ACID
[CAS]

4547-57-3
[Synonyms]

(4-BUTOXYPHENYL)ACETIC ACID
4-N-BUTOXYPHENYLACETIC ACID
(4-N-BUTYLOXYPHENYL)ACETIC ACID
P-BUTOXYPHENYLACETIC ACID
RARECHEM AL BO 0483
TIMTEC-BB SBB007692
(p-butoxyphenyl)-aceticaci
4-butoxybenzeneaceticacid
Acetic acid, (p-butoxyphenyl)-
Benzeneacetic acid, 4-butoxy-
Butoxyphenyl acetic acid
4-(N-BUTOXY)PHENYLACETIC ACID, 98+%
[EINECS(EC#)]

224-904-1
[Molecular Formula]

C12H16O3
[MDL Number]

MFCD00016832
[Molecular Weight]

208.25
[MOL File]

4547-57-3.mol
Chemical PropertiesBack Directory
[Melting point ]

82-88 °C
[Boiling point ]

86-87 °C(Press: 1 Torr)
[density ]

1.093±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4.45±0.10(Predicted)
[color ]

White to Light yellow
[BRN ]

1105534
[InChI]

1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)
[InChIKey]

KLJMYYFCWBVKEE-UHFFFAOYSA-N
[SMILES]

CCCCOc1ccc(CC(O)=O)cc1
[CAS DataBase Reference]

4547-57-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

AF6945000
[HS Code ]

2914.79.4000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White to off-white powder
[Uses]

4-Butoxyphenylacetic acid may be used in chemical synthesis studies.
[Purification Methods]

Recrystallise it from pet ether (b 40-60o). [McElvain & Carney J Am Chem Soc 68 2592 1946, Beilstein 10 IV 545.]
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-(n-Butoxy)phenylacetic acid, 98+%(4547-57-3)
[Sigma Aldrich]

4547-57-3(sigmaaldrich)
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