6-Chlorohexanol supplier | CasNO.2009-83-8

Name
6-Chlorohexanol
EINECS 217-925-2
CAS No. 2009-83-8
Article Data33
CAS DataBase
Density 1.001 g/cm³
Solubility 11.3g/L at 20℃
Melting Point 129-130ºC
Formula C₆H₁₃ClO
Boiling Point 212.8 °C at 760 mmHg
Molecular Weight 136.622
Flash Point 98.9 °C
Transport Information UN 2810
Appearance clear colorless to pale yellow liquid
Safety 26-36/37-36/37/39
Risk Codes 20/21-36/38-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn,img src=/images/Xi.gif alt=Irritant >Xi
Synonyms 1-Chloro-6-hydroxyhexane;6-Chloro-1-hexanol;6-Chloro-1-hexano;Hexamethylene chlorohydrin;omega-Chlorohexanol;1-Hexanol, 6-chloro-;6-Chlorohexan-1-ol;4-01-00-01704 (Beilstein Handbook Reference);1-Chloro-6-hexanol;
PSA 20.23000
LogP 1.77790

Synthetic route

: 629-11-8
1,6-hexanediol

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With tetrachloromethane; hexacarbonyl molybdenum at 120℃; for 8h;	98%
With 1,3,5-trichloro-2,4,6-triazine In N,N-dimethyl-formamide at -5 - 0℃; for 2h; Solvent; Temperature; Large scale;	95.2%
With hydrogenchloride; copper(l) chloride In toluene at 100℃; for 24h;	66%

: 59431-24-2
1-(tert-butyl-dimethylsilyloxy)-6-chloro-hexane

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With titanium tetrachloride; ethyl acetate In dichloromethane at 30℃; for 0.166667h;	94%

: 10297-06-0
1-chloro-5-hexyne

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With formic acid; F6P(1-)*C16H22N3Ru(1+); water In 1-methyl-pyrrolidin-2-one at 25℃; for 48h; Inert atmosphere; Sealed tube;	92%
With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); Ru(Cp)(PPh2PytBu)2(MeCN)PF6; water In isopropyl alcohol at 80℃; for 3h; Inert atmosphere; regioselective reaction;	85%
With [2,2]bipyridinyl; formic acid; (η5-cyclopentadienyl) (η6-naphthalene)ruthenium hexafluorophosphate; water In tetrahydrofuran at 55℃; for 48h;	80%
Multi-step reaction with 4 steps 1.1: n-butyllithium / hexane; diethyl ether / 1 h / -78 °C / Inert atmosphere 1.2: 6 h / 20 °C / Inert atmosphere 2.1: palladium 10% on activated carbon; hydrogen; water / methanol / 0.5 h / 20 °C / 760.05 Torr / Inert atmosphere 3.1: dichloromethane / 6 h / -20 °C / Inert atmosphere 4.1: potassium fluoride; potassium hydrogencarbonate; dihydrogen peroxide; tetrabutyl ammonium fluoride / tetrahydrofuran; water / 2 h / 40 °C View Scheme

: 629-11-8
1,6-hexanediol

A: 2009-83-8
6-chloro-1-hexanol

B: 2163-00-0
1,6-dichlorohexane

Conditions

Conditions	Yield
With tetrachloromethane; triphenylphosphine In acetonitrile Product distribution; Mechanism;	A 48% B 39%
With hydrogenchloride at 92 - 96℃;
With hydrogenchloride

: 629-11-8
1,6-hexanediol

A: 6294-17-3
1-bromo-6-chlorohexane

B: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; zinc(II) chloride	A n/a B 34%

: 4224-62-8
6-chlorohexanoic acid

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether

: 592-90-5
oxepane

A: 2009-83-8
6-chloro-1-hexanol

B: 108291-44-7
13-chloro-7-oxatridecane-1-ol

Conditions

Conditions	Yield
With water; titanium tetrachloride 1.) 60 - 70 deg C, 24 h; Yield given. Multistep reaction. Yields of byproduct given;

: 928-89-2
6-chlorohexene

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With hydrogenchloride; dimethylsulfide borane complex; diethylzinc; oxygen; zinc dibromide; zinc 1.) ether, 2 h at 0 deg C then 8 h at r.t., 2.) hexane, 30 min at 0 deg C then 15 min, 3.) THF, perfluorohexanes, -78 deg C, 4.) ether, 3 h; Yield given. Multistep reaction;
Yield given. Multistep reaction;
With potassium tri(isopropoxy)borohydride; n-octylthexylchloroborane at 0℃;	89 % Chromat.

: 928-89-2
6-chlorohexene

A: 2009-83-8
6-chloro-1-hexanol

B: 111-27-3
hexan-1-ol

Conditions

Conditions	Yield
With sodium hydroxide; sodium tetrahydroborate; dihydrogen peroxide; sodium iodide 1.) diglyme, 25 deg C, electrolysis, 2.) 25 deg C, 2 h; Yield given. Multistep reaction. Yields of byproduct given;

: chlorure de trimethylammonio-6 hexanol-1

A: 821-41-0
5-Hexen-1-ol

B: 2009-83-8
6-chloro-1-hexanol

C: 1862-07-3
6-(N,N-dimethylamino)-1-hexanol

D: 58390-19-5
6-(dimethylamino)-1-methoxyhexane

Conditions

Conditions	Yield
at 220℃; Product distribution;

...Expand

: 7647-01-0
hydrogenchloride

: 629-11-8
1,6-hexanediol

CuCl: CuCl

A: 2009-83-8
6-chloro-1-hexanol

B: 2163-00-0
1,6-dichlorohexane

Conditions

Conditions	Yield
unter kontinuierlicher Extraktion mit Toluol;

...Expand

: 7647-01-0
hydrogenchloride

: 629-11-8
1,6-hexanediol

A: 2009-83-8
6-chloro-1-hexanol

B: 91692-23-8
1,13-dichloro-7-oxatridecane

C: 108291-44-7
13-chloro-7-oxatridecane-1-ol

D: 2163-00-0
1,6-dichlorohexane

Conditions

Conditions	Yield
at 92 - 96℃; weitere Produkte: 6.6'-Dihydroxy-dihexylaether und Hexamethylenglykol-bis-<6-hydroxy-hexyl>-aether;

...Expand

: 928-51-8
4-Chloro-1-butanol

: 2009-83-8
6-chloro-1-hexanol

: 1446713-43-4
(6-chlorohex-1-yn-1-yl)triethylsilane

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; hydrogen; water / methanol / 0.5 h / 20 °C / 760.05 Torr / Inert atmosphere 2: dichloromethane / 6 h / -20 °C / Inert atmosphere 3: potassium fluoride; potassium hydrogencarbonate; dihydrogen peroxide; tetrabutyl ammonium fluoride / tetrahydrofuran; water / 2 h / 40 °C View Scheme

: C12H22ClF3O2Si

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With potassium fluoride; tetrabutyl ammonium fluoride; dihydrogen peroxide; potassium hydrogencarbonate In tetrahydrofuran; water at 40℃; for 2h; Fleming-Tamao Oxidation;

: C10H23ClOSi

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With potassium fluoride; tetrabutyl ammonium fluoride; dihydrogen peroxide; potassium hydrogencarbonate In tetrahydrofuran; water at 40℃; for 2h; Fleming-Tamao Oxidation;

: (6-chlorohexyl)triethylsilane

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dichloromethane / 6 h / -20 °C / Inert atmosphere 2: potassium fluoride; potassium hydrogencarbonate; dihydrogen peroxide; tetrabutyl ammonium fluoride / tetrahydrofuran; water / 2 h / 40 °C View Scheme

: 110-87-2
3,4-dihydro-2H-pyran

: 2009-83-8
6-chloro-1-hexanol

: 2009-84-9
(chloro-6' hexyloxy)-2 tetrahydropyranne

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In dichloromethane at 21℃; for 18h;	100%
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 1.5h;	99%
With pyridinium p-toluenesulfonate In dichloromethane at 20℃; for 21h;	98.5%

: 2009-83-8
6-chloro-1-hexanol

: 17356-08-0
thiourea

: 6-hydroxy-1-hexylthiouronium chloride

Conditions

Conditions	Yield
In ethanol for 15h; Heating;	100%

: 2009-83-8
6-chloro-1-hexanol

: 98-59-9
p-toluenesulfonyl chloride

: 71042-21-2
4-methylbenzenesulfonic acid 6-chlorohexyl ester

Conditions

Conditions	Yield
With pyridine at 0 - 15℃;	100%
With dmap; triethylamine In dichloromethane at 0 - 20℃;	87%
With dmap; triethylamine In dichloromethane for 3h; Ambient temperature;

: 2009-83-8
6-chloro-1-hexanol

: 55791-06-5
benzyl mesylate

: 53821-21-9
6-(benzyloxy)-1-chlorohexane

Conditions

Conditions	Yield
With magnesium oxide; lithium trifluoromethanesulfonate; lithium tetrakis(pentafluorophenyl)borate In dichloromethane; cyclohexane at 20℃; for 24h;	100%

: 110-86-1
pyridine

: 2009-83-8
6-chloro-1-hexanol

: 6-hydroxyhexyl-1-pyridinium chloride

Conditions

Conditions	Yield
for 5h; Heating;	100%

: 2009-83-8
6-chloro-1-hexanol

: 146292-90-2
6-azidohexan-1-ol

Conditions

Conditions	Yield
With sodium azide In dimethyl sulfoxide at 50℃; for 24h;	100%
With sodium azide In water for 16h; Heating;	96.7%
With sodium azide In N,N-dimethyl-formamide at 90℃; Inert atmosphere;	95%

: 2009-83-8
6-chloro-1-hexanol

: 118-41-2
Eudesmic acid

: 6-chlorohexyl 3,4,5-trimethoxybenzoate

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 49h; Inert atmosphere;	100%

: 2009-83-8
6-chloro-1-hexanol

: 40145-10-6
1-iodohexan-6-ol

Conditions

Conditions	Yield
With sodium iodide In acetone Reflux;	99%
With sodium iodide In acetone 1.) room temperature, 48 h, 2.) reflux, 5 h;	97%
With potassium iodide In butanone for 48h; Heating;	74%

: 2009-83-8
6-chloro-1-hexanol

: 75-50-3
trimethylamine

: chlorure de trimethylammonio-6 hexanol-1

Conditions

Conditions	Yield
In water; acetonitrile at 70℃; for 18h; Inert atmosphere;	99%
In water; acetonitrile for 36h; Heating / reflux;	62%
In water; acetonitrile for 36h; Reflux;	62%
In water; acetonitrile at 70℃; for 14h;
In toluene at 70℃; for 24h; Inert atmosphere;

: 2009-83-8
6-chloro-1-hexanol

: 40200-18-8
6-chloro-1-hexyl acetate

Conditions

Conditions	Yield
With pyridine; acetic anhydride In diethyl ether; water	99%

: 2009-83-8
6-chloro-1-hexanol

: 108-24-7
acetic anhydride

: 40200-18-8
6-chloro-1-hexyl acetate

Conditions

Conditions	Yield
With pyridine at 0 - 20℃; for 4h;	99%

: 598-56-1
N,N-dimethyl-ethanamine

: 2009-83-8
6-chloro-1-hexanol

: N-ethyl-N-(6-hydroxyhexyl)-N,N-dimethylammonium chloride

Conditions

Conditions	Yield
With potassium iodide at 100℃; for 72h; Autoclave;	99%
With potassium iodide at 100℃; for 72h; Autoclave;	99%

: 2009-83-8
6-chloro-1-hexanol

: 75-89-8
2,2,2-trifluoroethanol

: 1341666-66-7
C8H15F3O2

Conditions

Conditions	Yield
Stage #1: 2,2,2-trifluoroethanol With sodium Stage #2: 6-chloro-1-hexanol In diethylene glycol dimethyl ether at 120℃; for 5h; Stage #3: With hydrogenchloride In water pH=1 - 2; Product distribution / selectivity;	98.9%

: 75-77-4
chloro-trimethyl-silane

: 2009-83-8
6-chloro-1-hexanol

: 34714-00-6
trimethylsilyl 6-chloro-1-hexyl ether

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 0 - 10℃; for 8h; Temperature; Green chemistry;	98.6%
With triethylamine In tert-butyl methyl ether at 2℃; Temperature; Inert atmosphere;	94.2%
With triethylamine In diethyl ether for 0.25h;	93%

: 2009-83-8
6-chloro-1-hexanol

: 1666-13-3
diphenyl diselenide

: 78998-75-1
6-(phenylselanyl)hexan-1-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 50℃;	98%

: 2009-83-8
6-chloro-1-hexanol

: 109-92-2
ethyl vinyl ether

: 51732-22-0
acetaldehyde ethyl 6-chlorohexyl acetal

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 0 - 15℃; for 3h;	98%
With toluene-4-sulfonic acid for 1h;	88%
With trichlorophosphate
With toluene-4-sulfonic acid at 0 - 10℃; for 3h;

: 2009-83-8
6-chloro-1-hexanol

: 95-64-7
4-amino-o-xylene

: 189748-84-3
N-(6'-hydroxyhexyl)-3,4-dimethylaniline

Conditions

Conditions	Yield
With triethylamine at 110℃; for 5h;	98%
With triethylamine for 6h; Reflux;	57%
With triethylamine at 110℃; for 5h;

: 2009-83-8
6-chloro-1-hexanol

: 501-52-0
3-Phenylpropionic acid

: 6-chlorohexyl 3-phenylpropanoate

Conditions

Conditions	Yield
With sulfonated polypyrene In n-heptane at 110℃; for 1h;	98%
fluorous ammonium triflate In toluene at 80℃; for 3h;	97%
Stage #1: 3-Phenylpropionic acid With 1-methyl-1H-imidazole; p-toluenesulfonyl chloride In acetonitrile at 0 - 5℃; for 0.5h; Stage #2: 6-chloro-1-hexanol In acetonitrile at 0 - 5℃; for 2h; Further stages.;	95%

: 2009-83-8
6-chloro-1-hexanol

: 89639-61-2
p-methylthiolphenol

: 4-Methylphenyl-6'-hydroxyhexyl sulfide

Conditions

Conditions	Yield
With potassium carbonate In nitrogen; water; N,N-dimethyl-formamide	98%

: 2009-83-8
6-chloro-1-hexanol

: 54945-19-6
4-hydroxy-4'-methoxybenzil

: 1220040-72-1
C21H24O5

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 80℃; for 12h; Inert atmosphere;	98%

: 2009-83-8
6-chloro-1-hexanol

: 2778-42-9
1,3-bis(1-isocyanato-1-methylethyl)benzene

: bis(6-chlorohexyl) (1,3-phenylenebis(propane-2,2-diyl))dicarbamate

Conditions

Conditions	Yield
With dibutyltin dilaurate In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	98%

: 2009-83-8
6-chloro-1-hexanol

: 60-34-4
methylhydrazine

: 6-(1-methylhydrazinyl)hexan-1-ol

Conditions

Conditions	Yield
In neat liquid at 20℃; for 24h; Inert atmosphere;	98%

: 2009-83-8
6-chloro-1-hexanol

: 5188-07-8
sodium thiomethoxide

: 98433-41-1
6-(methylthio)hexan-1-ol

Conditions

Conditions	Yield
In water at 25℃; for 8h;	97%
With methanol

: 2009-83-8
6-chloro-1-hexanol

: 115-11-7
isobutene

: 1001-73-6
1-(tert-butoxy)-6-chlorohexane

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane for 5h;	97%
With Amberlyst H-15 In hexane for 8h; Ambient temperature;	95%
With Amberlyst H-15 In hexane for 8h; Ambient temperature;	81%
With sulfuric acid In dichloromethane for 20h; Ambient temperature;	70%
Amberlyst H-15 In hexane Ambient temperature; Yield given;

: 2009-83-8
6-chloro-1-hexanol

: 58479-61-1
tert-butylchlorodiphenylsilane

: 195451-92-4
6-(tert-butyldiphenylsilyloxy)hexyl chloride

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane	97%
With 1H-imidazole In N,N-dimethyl-formamide at 20℃;	87%
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 4h;

: 2009-83-8
6-chloro-1-hexanol

: 6294-17-3
1-bromo-6-chlorohexane

Conditions

Conditions	Yield
Stage #1: 6-chloro-1-hexanol With diisopropyl-carbodiimide; copper(II) bis(trifluoromethanesulfonate) In tetrahydrofuran at 100℃; for 0.0833333h; microwave irradiation; Stage #2: With Acetyl bromide In tetrahydrofuran at 150℃; for 0.0833333h; microwave irradiation; Further stages.;	96%
With phosphorus tribromide

: 2009-83-8
6-chloro-1-hexanol

: 4224-62-8
6-chlorohexanoic acid

Conditions

Conditions	Yield
Stage #1: 6-chloro-1-hexanol With Oxone; sodium ortho-iodobenzenesulfonate In acetonitrile at 70℃; for 1h; Stage #2: With water In acetonitrile for 5h;	96%
With oxone; C18H10F17IO3; tetra(n-butyl)ammonium hydrogensulfate In nitromethane; water at 70℃; for 12h;	92%
With 2-hydroxypyridin; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 20℃; for 72h;	85%

: 2009-83-8
6-chloro-1-hexanol

: 124-63-0
methanesulfonyl chloride

: 93847-88-2
6-chlorohexyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 14h;	96%
With triethylamine In benzene	91.1%
With triethylamine for 0.25h; Substitution;

: 2009-83-8
6-chloro-1-hexanol

: 540-38-5
4-Iodophenol

: 436865-00-8
4-(6-hydroxyhexyloxy)iodobenzene

Conditions

Conditions	Yield
Stage #1: p-Iodophenol With potassium hydroxide In ethanol for 1h; Heating; Stage #2: 6-chloro-1-hexanol In ethanol for 24h; Heating;	96%
With potassium carbonate; sodium iodide In dimethyl sulfoxide at 50℃; for 24h;	76%
With potassium carbonate In isopropyl alcohol for 60h; Reflux;	11.6 g

6-Chlorohexanol Specification

The 6-Chlorohexanol, with the CAS registry number 2009-83-8, is also known as 1-Chloro-6-hydroxyhexane; 6-Chloro-1-hexanol; Hexamethylene chlorohydrin.It belongs to the product categories of omega-Chloroalkanols;omega-Functional Alkanols, Carboxylic Acids, Amines & Halides;OLED materials,pharm chemical,electronic. This chemical's molecular formula is C₆H₁₃ClO and molecular weight is 136.62. Its EINECS number is 217-925-2. What's more,Its systematic name is 6-Chlorohexan-1-ol.

Physical properties about 6-Chlorohexanol are: (1)ACD/LogP: 1.754; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.67; (6)ACD/BCF (pH 7.4): 12.67; (7)ACD/KOC (pH 5.5): 214.33; (8)ACD/KOC (pH 7.4): 214.33; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 36.23 cm3; (14)Molar Volume: 136.467 cm3; (15)Surface Tension: 32.5800018310547 dyne/cm; (16)Density: 1.001 g/cm3; (17)Flash Point: 98.889 °C; (18)Enthalpy of Vaporization: 52.238 kJ/mol; (19)Boiling Point: 212.82 °C at 760 mmHg; (20)Vapour Pressure: 0.0379999987781048 mmHg at 25°C;

The 6-Chlorohexanol is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin .When you use it, wear suitable protective clothing, gloves and eye/face protection.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:ClCCCCCCO;
(2)Std. InChI:InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2;
(3)Std. InChIKey:JNTPTNNCGDAGEJ-UHFFFAOYSA-N.

The toxicity data of 6-Chlorohexanol as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 100mg/kg (100mg/kg)		Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.

Product Name

6-Chlorohexanol

Synthetic route

6-Chlorohexanol Specification

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