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ChemicalBook--->CAS DataBase List--->20651-71-2

20651-71-2

20651-71-2 Structure

20651-71-2 Structure
IdentificationMore
[Name]

4-Butylbenzoic acid
[CAS]

20651-71-2
[Synonyms]

4-BUTYLBENZOIC ACID
4-N-BUTYLBENZOIC ACID
P-BUTYLBENZOIC ACID
RARECHEM AL BO 0542
4-butyl-benzoicaci
Benzoic acid, 4-butyl-
p-n-Butylbenzoic acid
4-ButylbenzoicAcid,4BaC11H14O2
4-n-Butylbenzonic acid 99%
4BA
[EINECS(EC#)]

243-940-9
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00002571
[Molecular Weight]

178.23
[MOL File]

20651-71-2.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE CRYSTALLINE POWDER
[Melting point ]

100-113 °C (lit.)
[Boiling point ]

304.71°C (estimate)
[density ]

1.0435 (estimate)
[refractive index ]

1.5201 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.36±0.10(Predicted)
[color ]

White to Off-White
[Water Solubility ]

148.2mg/L(temperature not stated)
[Usage]

Intermediates of Liquid Crystals
[BRN ]

2044046
[LogP]

3.970
[CAS DataBase Reference]

20651-71-2(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Butylbenzoic acid(20651-71-2)
[EPA Substance Registry System]

20651-71-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Oxygen-->4-BUTYLBENZYL ALCOHOL-->1-Bromo-4-butylbenzene-->4-N-BUTYLCHLOROBENZENE-->4-N-BUTYLBENZOYL CHLORIDE-->1-(4'-IODOPHENYL)BUTANE-->1-Butyl-4-eth-1-ynylbenzene-->4-Iodobenzoic acid-->carbon monoxide-->Carbon dioxide-->TRIBUTYLBORANE
[Preparation Products]

Benzene, 1-butyl-4-ethyl--->Butylbenzene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Butylbenzoic acid(20651-71-2).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE CRYSTALLINE POWDER
[Uses]

Intermediates of Liquid Crystals
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 32, p. 1757, 1989 DOI: 10.1021/jm00128a016
The Journal of Organic Chemistry, 51, p. 2880, 1986 DOI: 10.1021/jo00365a005
Tetrahedron Letters, 36, p. 3111, 1995 DOI: 10.1016/0040-4039(95)00485-U
Spectrum DetailBack Directory
[Spectrum Detail]

4-Butylbenzoic acid(20651-71-2)MS
4-Butylbenzoic acid(20651-71-2)1HNMR
4-Butylbenzoic acid(20651-71-2)13CNMR
4-Butylbenzoic acid(20651-71-2)IR1
4-Butylbenzoic acid(20651-71-2)IR2
4-Butylbenzoic acid(20651-71-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Butylbenzoic acid, 99%(20651-71-2)
[Alfa Aesar]

4-n-Butylbenzoic acid, 99%(20651-71-2)
[Sigma Aldrich]

20651-71-2(sigmaaldrich)
[TCI AMERICA]

4-Butylbenzoic Acid,>98.0%(T)(20651-71-2)
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