4-Butylbenzoic acid

4-Butylbenzoic acid Basic information

Product Name:	4-Butylbenzoic acid
Synonyms:	RARECHEM AL BO 0542;P-BUTYLBENZOIC ACID;4-butyl-benzoicaci;Benzoic acid, 4-butyl-;p-n-Butylbenzoic acid;4-ButylbenzoicAcid,4BaC11H14O2;4-n-Butylbenzonic acid 99%;4-BUTYLBENZOIC ACID
CAS:	20651-71-2
MF:	C11H14O2
MW:	178.23
EINECS:	243-940-9
Product Categories:	Liqiud crystal intermediates;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic Acids (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Building blockCarbonyl Compounds;Liquid Crystal intermediates;C11 to C12;Carboxylic Acids;Liquid Crystals;Organic Electronics and Photonics
Mol File:	20651-71-2.mol

4-Butylbenzoic acid Chemical Properties

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)
pka	4.36±0.10(Predicted)
form	Solid
color	White to Off-White
Water Solubility	148.2mg/L(temperature not stated)
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	Benzoic acid, 4-butyl- (20651-71-2)

Safety Information

Hazard Codes	Xn
Risk Statements	36/37/38-22
Safety Statements	22-24/25-37/39-26
WGK Germany	3
TSCA	Yes
HS Code	29163990

MSDS Information

Provider	Language
4-Butylbenzoic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

4-Butylbenzoic acid Usage And Synthesis

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

4-Butylbenzoic acid Preparation Products And Raw materials

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

4-Butylbenzoic acid 4-N-BUTYLBENZOIC ACID 4-CYANOPHENYL ESTER 4-TERT-BUTYLBENZOIC ACID 4-N-PENTYLBENZOIC ACID 4'-N-HEXYLOXYPHENYL ESTER 4-CYANOPHENYL 4-PENTYLBENZOATE 4-CYCLOHEXYLBENZOIC ACID Protocatechuic acid 4-Aminobenzoic acid p-Nitrobenzoic acid 4-TERT-BUTYLBENZOIC ACID METHYL ESTER 4-CYANOPHENYL 4-HEPTYLBENZOATE 4-N-PENTYLBENZOIC ACID 4'-N-OCTYLOXYPHENYL ESTER 4-N-BUTYLBENZOIC ACID 4'-ETHOXYPHENYL ESTER,4-N-BUTYLBENZOIC ACID 4-ETHOXYPHENYL ESTER 4-Hexylbenzoic acid Benzoic acid Anthranilic acid Estradiol benzoate Benzyl benzoate

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