Benzenehexanoic acid supplier

Name
6-PHENYLHEXANOIC ACID
EINECS
CAS No. 5581-75-9
Article Data38
CAS DataBase
Density 1.051 g/cm³
Solubility 479.8mg/L(30 oC)
Melting Point 17-19°C
Formula C₁₂H₁₆O₂
Boiling Point 319.2 °C at 760 mmHg
Molecular Weight 192.258
Flash Point 240.2 °C
Transport Information
Appearance White Solid
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Hexanoicacid, 6-phenyl- (8CI);6-Phenylcaproic acid;6-Phenylhexanoic acid;NSC 66179;6-Phenylhexanoic Acid;
PSA 37.30000
LogP 2.87410

Synthetic route

: 16424-56-9
trans 6-phenyl-5-hexenoic acid

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethyl acetate at 25℃; under 1551.4 Torr; for 1h;	95%
With platinum(IV) oxide; hydrogen In tetrahydrofuran at 20℃; for 1h;

: 2430-16-2
6-phenyl-1-hexanol

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; water; sodium hydrogencarbonate at 80℃; under 600.06 Torr; for 9h; Reagent/catalyst; Time;	95%

: 129866-61-1
1-Diazo-6-phenylhexan-2-one

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With lithium perchlorate In acetonitrile at 26.85℃; Wolff rearrangement; Electrochemical reaction;	94%
With silver nanocluster In 1,4-dioxane; water at 60℃;	92%

: 108-55-4
glutaric anhydride,

: 103-63-9
1-phenyl-2-bromoethane

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0); zinc In N,N-dimethyl acetamide at 80℃; for 12h;	90%

: 1444-65-1
(RS)-2-phenylcyclohexanone

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With oxygen; vanadium(V) oxychloride In acetic acid at 65℃; for 52h;	81%
With potassium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene Reflux;	78%

: 2430-16-2
6-phenyl-1-hexanol

A: 538-68-1
pentylbenzene

B: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With 10% rhodium on carbon; water; sodium hydroxide at 100℃; under 675.068 Torr; for 6h; Pressure;	A 11% B 80%

: C14H17Cl3O2

A: 6-phenylhexanoic acid 2,2-dichloroethyl ester

B: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With indium; ammonium chloride In tetrahydrofuran for 24h; Heating;	A 60% B 27%

: 21876-11-9
6-oxo-6-phenyl-hexanoic acid methyl ester

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With hydrazine hydrate	56%
Multi-step reaction with 2 steps 1: aq. NaOH / acetone / 25 °C / other temp., ΔΔH excit., ΔΔS excit. View Scheme

: 124-38-9
carbon dioxide

: 63789-86-6, 65511-83-3, 143097-81-8, 143097-84-1
2-bromo-5-phenylpentane

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With rubidium carbonate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; (6,6’-dimethyl-2,2'-bipyridine)nickel(II) dibromide In N,N-dimethyl-formamide at 10℃; under 750.075 Torr; for 20h; Schlenk technique; Sealed tube; Irradiation;	52%

: 2430-16-2
6-phenyl-1-hexanol

A: 538-68-1
pentylbenzene

B: 5581-75-9
6-phenylhexanic acid

C: 826-18-6
1-pentenylbenzene

Conditions

Conditions	Yield
With 10% rhodium on carbon; sodium hydroxide In water at 100℃; for 24h; Inert atmosphere;	A n/a B 50% C n/a

...Expand

: 2430-16-2
6-phenyl-1-hexanol

A: 5581-75-9
6-phenylhexanic acid

B: 16387-61-4
6-phenylhexanal

Conditions

Conditions	Yield
With palladium 10% on activated carbon; water; sodium hydrogencarbonate at 80℃; under 600.06 Torr; for 6h;	A 19% B 7%

: 996-82-7, 34727-00-9, 73177-21-6
sodium diethylmalonate

: 13633-25-5
1-Bromo-4-phenylbutane

: 5581-75-9
6-phenylhexanic acid

: 13132-16-6
5-benzylthiophene-2-carboxylic acid

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With alkaline solution; nickel

: 17777-31-0
6-phenylhexanenitrile

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 4144-62-1
5-benzoylvaleric acid

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc Verseifung und Behandlung des Reaktionsprodukts mit Wasserstoff in Alkohol bei Gegenwart von kolloidalem Palladium;
With hydrogenchloride; mercury; zinc
With triethylsilane; trifluoroacetic acid

: 97025-01-9
rac-(2-phenylbutyl)propanedioic acid

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
at 160℃;

: 13122-67-3
4-oxo-6-phenylhexanoic acid

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc

: 4248-25-3
ethyl 6-oxo-6-phenylhexanoate

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With potassium hydroxide; hydrazine hydrate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol

: 5581-76-0
6-phenyl-hexanoic acid methyl ester

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With sodium hydroxide In acetone at 25℃; Kinetics; Thermodynamic data; other temp., ΔH excit., ΔS excit.;
With sodium hydroxide In tetrahydrofuran; water at 20℃;	541 mg

: 62103-18-8
peracide phenyl-6 hexanoique

A: 1009-14-9
phenyl butyl ketone

B: 583-03-9
1-Phenyl-1-pentanol

C: 10521-91-2
5-phenylpentan-1-ol

D: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
In n-heptane at 98℃; Further byproducts given;	A 0.01 mol B 0.19 mol C 0.20 mol D 0.18 mol

...Expand

: 62103-18-8
peracide phenyl-6 hexanoique

A: 1009-14-9
phenyl butyl ketone

B: 583-03-9
1-Phenyl-1-pentanol

C: 10521-91-2
5-phenylpentan-1-ol

D: 5581-75-9
6-phenylhexanic acid

E: 2270-20-4
5-Phenylpentanoic acid

Conditions

Conditions	Yield
In n-heptane at 98℃; Mechanism; Product distribution;	A 0.01 mol B 0.19 mol C 0.20 mol D 0.18 mol E 0.01 mol

...Expand

: 62103-18-8
peracide phenyl-6 hexanoique

A: 583-03-9
1-Phenyl-1-pentanol

B: 10521-91-2
5-phenylpentan-1-ol

C: 5581-75-9
6-phenylhexanic acid

D: 2270-20-4
5-Phenylpentanoic acid

Conditions

Conditions	Yield
In n-heptane at 98℃; Further byproducts given;	A 0.19 mol B 0.20 mol C 0.18 mol D 0.01 mol

...Expand

: 62103-19-9
peracide phenyl-7 heptanoique

A: 2430-16-2
6-phenyl-1-hexanol

B: 5581-75-9
6-phenylhexanic acid

C: 40228-90-8
7-phenylheptanoic acid

D: 25870-62-6
1-phenyl-2-hexanone

E: 4471-05-0
1-phenylhexan-1-ol

F: 25755-72-0
(+/-)-1-phenylhexan-2-ol

Conditions

Conditions	Yield
In hexane at 69℃; Mechanism; Product distribution;	A 0.38 mol B 0.02 mol C 0.27 mol D n/a E 0.13 mol F 0.04 mol

...Expand

: 62103-19-9
peracide phenyl-7 heptanoique

A: 2430-16-2
6-phenyl-1-hexanol

B: 5581-75-9
6-phenylhexanic acid

C: 40228-90-8
7-phenylheptanoic acid

D: 4471-05-0
1-phenylhexan-1-ol

Conditions

Conditions	Yield
In hexane at 69℃; Further byproducts given;	A 0.38 mol B 0.02 mol C 0.27 mol D 0.13 mol

...Expand

: 4224-62-8
6-chlorohexanoic acid

: 71-43-2
benzene

A: 5581-75-9
6-phenylhexanic acid

B: 5354-04-1
4-phenylhexanoic acid

C: 2972-25-0
5-phenylhexanoic acid

Conditions

Conditions	Yield
With aluminium trichloride Product distribution; degree of isomerization of the alkyl chain;	A 42 % Chromat. B 1 % Chromat. C 57 % Chromat.

...Expand

: 40564-60-1
5-oxo-6-phenylhexanoic acid

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With hydrazine Heating;

d-benzyl-levulinic acid: d-benzyl-levulinic acid

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
With sodium ethanolate; hydrazine hydrate at 180℃;

: 7647-01-0
hydrogenchloride

: 4248-25-3
ethyl 6-oxo-6-phenylhexanoate

amalgamated zinc: amalgamated zinc

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
Verseifen des Reaktionsprodukts;

...Expand

: 35444-44-1
methyl adipoyl chloride

: 5581-75-9
6-phenylhexanic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 53 percent 2: 56 percent / hydrazine hydrate, base View Scheme
Multi-step reaction with 3 steps 1: 77 percent / AlCl3 2: aq. NaOH / acetone / 25 °C / other temp., ΔΔH excit., ΔΔS excit. View Scheme

: 67-56-1
methanol

: 5581-75-9
6-phenylhexanic acid

: 5581-76-0
6-phenyl-hexanoic acid methyl ester

Conditions

Conditions	Yield
With chloro-trimethyl-silane at 0 - 20℃; for 4h; Inert atmosphere;	100%
trioctyl(propyl-3-sulfonic acid)ammonium bis(trifluoromethylsulfonyl)imide In water at 90℃; for 24h;	80%
With chloro-trimethyl-silane at 0℃;	2.88 g
With hydrogenchloride In methanol for 24h; Heating / reflux;
With sulfuric acid for 3h; Reflux;

: 5581-75-9
6-phenylhexanic acid

: 2843-26-7
N-butyl-3-formamido-2-hydroxybenzamide

: N-butyl-2-hydroxy-3-(6-phenylhexanamido)benzamide

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 15h; Inert atmosphere;	99%

: 186581-53-3, 908094-01-9
diazomethane

: 5581-75-9
6-phenylhexanic acid

: 5581-76-0
6-phenyl-hexanoic acid methyl ester

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 1h; Inert atmosphere;	96%

: 5581-75-9
6-phenylhexanic acid

: 21389-46-8
6-phenylhexanoyl chloride

Conditions

Conditions	Yield
With thionyl chloride	94%
With phosphorus pentachloride
With thionyl chloride; benzene

: 5581-75-9
6-phenylhexanic acid

: 1077-16-3
hexylbenzene

Conditions

Conditions	Yield
With triethylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃;	93%
With triethylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃; for 20h;	93%

: 5581-75-9
6-phenylhexanic acid

: 2-(1-(3-((tert-butyldimethylsilyl)oxy)propyl)-1H-1,2,3-triazol-4-yl)-7-azabicyclo[2.2.1]heptane

: 1-(2-(1-(3-((tert-butyldimethylsilyl)oxy)propyl)-1H-1,2,3-triazol-4-yl)-7-azabicyclo[2.2.1]heptan-7-yl)-6-phenylhexan-1-one

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃;	91.6%

: 5581-75-9
6-phenylhexanic acid

: 2430-16-2
6-phenyl-1-hexanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether at 25℃; for 4h;	91%
Multi-step reaction with 2 steps 1: 2.88 g / TMSCl / 0 °C 2: 76 percent / DIBAL-H / tetrahydrofuran; toluene / 2 h / 0 °C View Scheme
With diborane In tetrahydrofuran

: 5581-75-9
6-phenylhexanic acid

: C12H15O5S(1-)*0.5Ca(2+)

Conditions

Conditions	Yield
With sulfuric acid at 100℃; for 2h;	85%

: 5581-75-9
6-phenylhexanic acid

: 1541195-83-8
(2S,3S,4R)-2-amino-3,4-di-O-benzyl-1-O-(2,3-di-O-benzyl-4,6-O-benzylidene-α-D-galactopyranosyl)octadec-6-ene-1,3,4-triol

: 1541195-84-9
(2S,3S,4R)-3,4-di-O-benzyl-1-O-(2,3-di-O-benzyl-4,6-O-benzylidene-α-D-galactopyranosyl)-2-(6-phenylhexanoylamino)octadec-6-ene-1,3,4-triol

Conditions

Conditions	Yield
Stage #1: 6-phenylhexanic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide for 0.5h; Stage #2: (2S,3S,4R)-2-amino-3,4-di-O-benzyl-1-O-(2,3-di-O-benzyl-4,6-O-benzylidene-α-D-galactopyranosyl)octadec-6-ene-1,3,4-triol With N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide for 18h;	85%

: 5581-75-9
6-phenylhexanic acid

: ((1R,5S)-1-(3-methylbut-2-en-1-yl)-7-oxo-6-oxabicyclo[3.2.0]hept-2-en-3-yl)methyl-6-phenylhexanoate

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane at 20℃; for 5h; Inert atmosphere;	85%

: 5581-75-9
6-phenylhexanic acid

: C28H44N4O8*C2HF3O2

: C40H58N4O9

Conditions

Conditions	Yield
Stage #1: 6-phenylhexanic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 0.166667h; Inert atmosphere; Stage #2: C28H44N4O8*C2HF3O2 With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere;	84%

: 5581-75-9
6-phenylhexanic acid

: 70069-04-4
2-hydroxymethyl-18-crown-6

: (1,4,7,10,13,16-hexaoxacyclooctadecan-2-yl)methyl 6-phenylhexanoate

Conditions

Conditions	Yield
With dmap; silica gel; dicyclohexyl-carbodiimide at 20℃; for 24h; Steglich Esterification; Inert atmosphere;	79%

: 5581-75-9
6-phenylhexanic acid

: 27489-62-9
trans-4-hydroxycyclohexylamine

: N-(trans-4-hydroxycyclohexyl)-6-phenylhexanamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25℃; for 16h;	77.8%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 10℃; for 10h;	15.3%

: 195314-59-1
tert-butyl (4-aminocyclohexyl)carbamate

: 5581-75-9
6-phenylhexanic acid

: tert-butyl (4-(6-phenylhexanamido)cyclohexyl)carbamate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25℃; for 12h;	77.4%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 5581-75-9
6-phenylhexanic acid

: 1217298-52-6
C16H19NO4

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide at 0 - 20℃; for 8.5h;	76%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane Reflux;

: 5581-75-9
6-phenylhexanic acid

: 87120-72-7
1-(tert-butoxycarbonyl)-4-aminopiperidine

: C22H34N2O3

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25℃; for 12h;	76%

: 5581-75-9
6-phenylhexanic acid

: 829-14-1
7,8,9,10-tetrahydro-6H-benzocycloocten-5-one

Conditions

Conditions	Yield
Stage #1: 6-phenylhexanic acid With oxalyl dichloride In dichloromethane at 0 - 20℃; for 14h; Stage #2: With aluminum (III) chloride In dichloromethane for 20.5h; Inert atmosphere;	75%
With PPA
Multi-step reaction with 2 steps 1: SOCl2 2: AlCl3 / CS2 View Scheme
With oxalyl dichloride In dichloromethane at 0 - 20℃; for 1h;

: 1135871-90-7
6-(8-oxo-5,6,7,8-tetrahydro-naphthalen-2-yl)-pyridine-2-sulfonamide

: 5581-75-9
6-phenylhexanic acid

: 1135871-94-1
N-(6-phenyl-hexanoyl)-6-(8-oxo-5,6,7,8-tetrahydro-naphthalen-2-yl)-pyridine-2-sulfonamide

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 16h;	75%

: 5581-75-9
6-phenylhexanic acid

: 1431331-65-5
C18H17Cl2N5

: 1431331-43-9
C30H31Cl2N5O

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 20h;	75%

: 5581-75-9
6-phenylhexanic acid

: 294862-31-0
1-[(R)-1-(tert-butyldimethylsilyloxy)-4-(6-aminoindol-1-yl)-2-butyl]imidazole-4-carboxamide

: 294862-54-7
1-[(R)-1-(tert-butyldimethylsilyloxy)-4-(6-(6-phenylhexanoylamino)indol-1-yl)-2-butyl]imidazole-4-carboxamide

Conditions

Conditions	Yield
Stage #1: 6-phenylhexanic acid With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane at 20℃; for 0.666667h; Stage #2: 1-[(R)-1-(tert-butyldimethylsilyloxy)-4-(6-aminoindol-1-yl)-2-butyl]imidazole-4-carboxamide In dichloromethane at 20℃; for 4h;	74.8%

: 19792-91-7
phenyl sulfamate

: 5581-75-9
6-phenylhexanic acid

: 1393590-22-1
phenyl (6-phenylhexanoyl)sulfamate

Conditions

Conditions	Yield
Stage #1: 6-phenylhexanic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 0.75h; Inert atmosphere; Stage #2: phenyl sulfamate With dmap; triethylamine In dichloromethane; N,N-dimethyl-formamide Inert atmosphere;	74%

: 153708-69-1
(3,5-dichloropyridin-4-yl)hydrazine

: 5581-75-9
6-phenylhexanic acid

: 1370286-94-4
N'-(3,5-dichloropyridin-4-yl)-6-phenylhexanehydrazide

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	71%

: 5581-75-9
6-phenylhexanic acid

: 84299-18-3
(E)-6-phenyl-2-hexenoic acid

Conditions

Conditions	Yield
Stage #1: 6-phenylhexanic acid With Zn(2,2,6,6-tetramethylpiperidine)2*2LiCl In tetrahydrofuran at -40℃; for 1.5h; Inert atmosphere; Sealed tube; Stage #2: With bis(η3-allyl-μ-chloropalladium(II)); Allyl acetate In tetrahydrofuran at -40 - 60℃; for 3h; Inert atmosphere; Sealed tube; diastereoselective reaction;	69%

: 5581-75-9
6-phenylhexanic acid

: 6850-65-3, 27489-62-9, 40525-78-8
cis-4-aminocyclohexanol

: N-(cis-4-hydroxycyclohexyl)-6-phenylhexanamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25℃; for 16h;	67.4%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 10℃; for 10h;	15.3%

Benzenehexanoic acid Specification

The Benzenehexanoic acid, with the CAS registry number 5581-75-9, has the systematic name of 6-phenylhexanoic acid. It is a kind of white solid, and belongs to the product category of Aromatics Compounds. And the molecular formula of the chemical is C₁₂H₁₆O₂.

The characteristics of Benzenehexanoic acid are as followings: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 26.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 217.74; (8)ACD/KOC (pH 7.4): 3.49; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 55.89 cm³; (15)Molar Volume: 182.9 cm³; (16)Polarizability: 22.15×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.051 g/cm³; (19)Flash Point: 240.2 °C; (20)Enthalpy of Vaporization: 59.2 kJ/mol; (21)Boiling Point: 319.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000144 mmHg at 25°C.

Preparation of Benzenehexanoic acid: This chemical can be prepared by 6-phenylhex-5-enoic acid. The reaction will need reagent H₂, catalyst 5% Pd/C, and the menstruum ethyl acetate. The reaction time is 1 hour with temperature of 25°C and pressure of 1551.4Pa, and the yield is about 95%.

Uses of Benzenehexanoic acid: It can be used to produce 6-phenyl-hexanoic acid. This reaction will need reagent LiAlH₄, and the menstruum diethyl ether. The reaction time is 4 hours with temperature of 25°C, and the yield is about 91%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCCCCc1ccccc1
(2)InChI: InChI=1/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)
(3)InChIKey: JTXZPQIXIXYMDY-UHFFFAOYAZ

Product Name

6-PHENYLHEXANOIC ACID

Synthetic route

Benzenehexanoic acid Specification

Related Products

Hot Products