2-Hexyldecanoic acid supplier

Name
2-HEXYLDECANOIC ACID
EINECS 246-885-9
CAS No. 25354-97-6
Density 0,88 g/cm3
Solubility insoluble
Melting Point 10°C
Formula C16H32 O2
Boiling Point 165 - 168 C at 2 mm Hg
Molecular Weight 256.429
Flash Point 174 C
Transport Information
Appearance colourless to yellow liquid
Safety Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and fumes.
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols 3
Synonyms 2-Hexyldecanoicacid; C16 Guerbet fatty acid; Isocarb 16
PSA 37.30000
LogP 5.40820

Synthetic route

: 87549-17-5
2-hexyl-2-octylmalonic acid

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
at 160℃; Inert atmosphere;	96.31%
With glass powder at 145℃; for 3.5h;	95%

: 67-56-1
methanol

: 544-10-5
1-Chlorohexane

: 111-11-5
methyl octanate

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
Stage #1: methanol; 1-Chlorohexane; methyl octanate With sodium hydroxide at 20 - 60℃; for 6h; Large scale; Stage #2: With water; sodium hydroxide at 60℃; for 6h; Large scale;	91.3%

...Expand

: 334-48-5
1-decanoic acid

: 638-45-9
1-Iodohexane

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
Stage #1: 1-decanoic acid With sodium hydride; lithium diisopropyl amide In tetrahydrofuran at 0 - 20℃; for 0.5h; Stage #2: 1-Iodohexane at 45℃; for 6h;	65%

: 111-66-0
oct-1-ene

: 124-07-2
Octanoic acid

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
With di-tert-butyl peroxide at 150 - 155℃;

2-hexyl-dec-2ξ-enoic acid: 2-hexyl-dec-2ξ-enoic acid

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
With ethanol; platinum Hydrogenation;

n-hexyl-n-octyl-malonic acid: n-hexyl-n-octyl-malonic acid

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
Erhitzen ueber den Schmelzpunkt;

: 5398-10-7
diethyl 2-hexylmalonate

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 80.6 percent / Na / ethanol 2: 88.4 percent / KOH / H2O / 5 h / 90 °C 3: 95 percent / glass powder / 3.5 h / 145 °C View Scheme

: 111-25-1
1-bromo-hexane

(+-)-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-benzo<c>chromene-1,3-diol: (+-)-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-benzo<c>chromene-1,3-diol

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 82 percent / Na / ethanol / 2.5 h / Heating 2: 80.6 percent / Na / ethanol 3: 88.4 percent / KOH / H2O / 5 h / 90 °C 4: 95 percent / glass powder / 3.5 h / 145 °C View Scheme

: 87549-16-4
diethyl 2-hexyl-2-octylmalonate

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 88.4 percent / KOH / H2O / 5 h / 90 °C 2: 95 percent / glass powder / 3.5 h / 145 °C View Scheme

: 2425-77-6
2-hexyldecan-1-ol

: 7664-93-9
sulfuric acid

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
With potassium permanganate In dichloromethane

: 111-83-1
1-bromo-octane

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium methylate / ethanol / 3 h / Reflux; Large scale 1.2: 3 h / Reflux; Large scale 2.1: sodium hydroxide / ethanol; water / 12 h / Reflux 3.1: 160 °C / Inert atmosphere View Scheme

: 111-25-1
1-bromo-hexane

: 25354-97-6
2-hexyldecanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium methylate / ethanol / 3 h / Reflux; Large scale 1.2: 3 h / Reflux; Large scale 2.1: sodium hydroxide / ethanol; water / 12 h / Reflux 3.1: 160 °C / Inert atmosphere View Scheme

: 25354-97-6
2-hexyldecanoic acid

: 74918-57-3
2-hexyldecanoic acid chloride

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane at 20℃; Inert atmosphere;	100%
With thionyl chloride In dichloromethane for 1h; Reagent/catalyst; Solvent; Reflux;	92.1%
With thionyl chloride In tetrachloromethane for 3.5h; Heating / reflux;	91%

: 112-34-5
Diethylene glycol monobutyl ether

: 25354-97-6
2-hexyldecanoic acid

: 2-(2-butoxyethoxy)ethyl 2-hexyldecanoate

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate	99%
With p-toluenesulfonic acid monohydrate	99%

: 111-70-6
n-heptan1ol

: 25354-97-6
2-hexyldecanoic acid

: heptyl 2-hexyldecanoate

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate	98%

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

: 25354-97-6
2-hexyldecanoic acid

: 54889-76-8
methyl 2-hexyldecanoate

Conditions

Conditions	Yield
In diethyl ether	95%

: 25354-97-6
2-hexyldecanoic acid

: 536-37-8
sodium 2-hexyldecanoate

Conditions

Conditions	Yield
With sodium carbonate In ethanol; water for 2h;	90%

: 25354-97-6
2-hexyldecanoic acid

: 119301-59-6
tetra(p-hydroxyphenyl)ethylene

: C90H140O8

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 20℃; for 18h;	87%

: 25354-97-6
2-hexyldecanoic acid

: 67-63-0
isopropyl alcohol

: 181319-53-9
isopropyl 2-hexyldecanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane	86%

: 25354-97-6
2-hexyldecanoic acid

: 143-08-8
nonyl alcohol

: nonyl 2-hexyldecanoate

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate	86%

: 25354-97-6
2-hexyldecanoic acid

: (2R,3S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yI)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-2-ethynyltetrahydrofuran-3-ol

: (2R,3S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-2-ethynyltetrahydrofuran-3-yl 2-hexyldecanoate

Conditions

Conditions	Yield
With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 18h;	84%

: 931-40-8
4-hydroxymethyl-1,3-dioxolan-2-one

: 25354-97-6
2-hexyldecanoic acid

: (2-oxo-1,3-dioxolan-4-yl)methyl 2-hexyldecanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane	82%

: 25354-97-6
2-hexyldecanoic acid

A: 629-62-9
pentadecane

B: 201230-82-2
carbon monoxide

Conditions

Conditions	Yield
With hydrogen at 200℃; under 7500.75 Torr; for 24h; Microwave irradiation;	A 78% B n/a

: 25354-97-6
2-hexyldecanoic acid

: 10-ethyl-7-tetradecanol

: 2-hexyl decanoic acid 1-hexyl-4-ethyloctyl

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 200 - 210℃; for 14h; Dean-Stark;	75%

: 25354-97-6
2-hexyldecanoic acid

: 1608483-87-9
2-hexyldecanoyl amide

Conditions

Conditions	Yield
With thionyl chloride; ammonia In water for 0.5h; Reflux;	74%
Multi-step reaction with 2 steps 1: oxalyl dichloride / benzene / 4 h 2: ammonium hydroxide / dichloromethane View Scheme
Multi-step reaction with 2 steps 1: oxalyl dichloride / benzene 2: ammonium hydroxide / dichloromethane; water / 2 h View Scheme

: 25354-97-6
2-hexyldecanoic acid

: 51791-26-5, 24654-55-5
3-(4-fluoro-phenyl)-propenal

: C24H39FO

Conditions

Conditions	Yield
With piperazine; 9-(2-chlorophenyl)acridine; tetrakis(acetonitrile)copper(I)tetrafluoroborate In dichloromethane at 25 - 27℃; for 14h; Irradiation;	71%

: 25354-97-6
2-hexyldecanoic acid

: 2,5-diaminobenzene-1,4-dithiol bis(hydrochloride)

: 2,6-bis(1-hexylnonyl)benzo[1,2-d:4,5-d']bisthiazole

Conditions

Conditions	Yield
Stage #1: 2,5-diaminobenzene-1,4-dithiol bis(hydrochloride) at 100℃; under 7.50075 Torr; for 2h; Inert atmosphere; Stage #2: 2-hexyldecanoic acid With phosphorus pentoxide at 60 - 140℃; for 18h; Inert atmosphere;	70.1%

: 25354-97-6
2-hexyldecanoic acid

: isobutyl 10,11-dihydroxynonadecanesulfonate

: isobutyl 10,11-bis(2-hexyldecanoyloxy)nonadecanesulfonate

Conditions

Conditions	Yield
Stage #1: 2-hexyldecanoic acid With dicyclohexyl-carbodiimide In dichloromethane for 0.25h; Cooling with ice; Inert atmosphere; Stage #2: isobutyl 10,11-dihydroxynonadecanesulfonate With dmap In dichloromethane at 20℃; for 16h; Cooling with ice; Inert atmosphere;	70%

: 25354-97-6
2-hexyldecanoic acid

: S-(difluoromethyl) benzenesulfonothioate

: C16H32F2S

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; sodium dodecyl-sulfate; silver nitrate In water at 50℃; for 6h; Schlenk technique; Inert atmosphere;	69%

: 25354-97-6
2-hexyldecanoic acid

: 6,6'-(1-(2-(dimethylamino)ethyl)hydrazine-1,2-diyl)bis(hexan-1-ol)

: (1-(2-(dimethylamino)ethyl)hydrazine-1,2-diyl)bis(hexane-6,1-diyl) bis(2-hexyldecanoate)

Conditions

Conditions	Yield
With dmap; 1,2-dichloro-ethane In dichloromethane	65%

: 25354-97-6
2-hexyldecanoic acid

: 7-azidopentadecane

Conditions

Conditions	Yield
With phenylsulfonyl azide; dipotassium peroxodisulfate; silver nitrate In water; acetonitrile at 55℃; under 760.051 Torr; for 24h; Reagent/catalyst; Inert atmosphere; Schlenk technique;	64%

: 930-30-3
cyclopent-2-enone

: 25354-97-6
2-hexyldecanoic acid

: C20H38O

Conditions

Conditions	Yield
With piperazine; 9-(2-chlorophenyl)acridine; tetrakis(acetonitrile)copper(I)tetrafluoroborate In dichloromethane at 25 - 27℃; for 14h; Irradiation;	62%

: 25354-97-6
2-hexyldecanoic acid

: 918-52-5
2,2-dinitropropanol

: 2,2-dinitropropyl 2-hexyldecanoate

Conditions

Conditions	Yield
With polyphosphoric acid In 1,2-dichloro-ethane	60%

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

: 25354-97-6
2-hexyldecanoic acid

: 2,2,2-trifluoroethyl 2-hexyldecanoate

Conditions

Conditions	Yield
With immobilized Candida antarctica Lipase B In tert-butyl alcohol at 46℃; for 1h; Molecular sieve; Microwave irradiation; Inert atmosphere; Enzymatic reaction;	59%

: 25354-97-6
2-hexyldecanoic acid

: 7-fluoropentadecane

Conditions

Conditions	Yield
With caesium carbonate; Selectfluor; 9-(2-mesityl)-10-methylacridinium perchlorate In water; acetonitrile at 20℃; for 72h; Inert atmosphere; Schlenk technique; Irradiation;	55%

: 1462-12-0
diethyl ethylidenemalonate

: 25354-97-6
2-hexyldecanoic acid

: (±)-diethyl 2-(3-hexylundecan-2-yl)malonate

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate In N,N-dimethyl-formamide at 20℃; Michael Addition; Inert atmosphere; Photolysis; Sealed tube;	53%

: 25354-97-6
2-hexyldecanoic acid

: 407-25-0
trifluoroacetic anhydride

: 1,1,1-trifluoro-3-hexylundecan-2-one

Conditions

Conditions	Yield
Stage #1: 2-hexyldecanoic acid; trifluoroacetic anhydride With pyridine In toluene at 100℃; for 48h; Stage #2: With water In toluene at 45℃; for 2h;	41%
Stage #1: 2-hexyldecanoic acid; trifluoroacetic anhydride With pyridine In toluene at 60 - 65℃; for 4h; Inert atmosphere; Stage #2: With water In toluene at 57 - 60℃; for 1h; Inert atmosphere;	41%

: 25354-97-6
2-hexyldecanoic acid

: C33H68N2O3

: C65H128N2O5

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide	38%

: 25354-97-6
2-hexyldecanoic acid

A: 629-62-9
pentadecane

B: 16416-37-8
(E)-pentadec-7-ene

C: 9,10-dihexyloctadecane

Conditions

Conditions	Yield
With potassium methanolate In methanol at 40 - 45℃; electrolysis: anode: platinum foil; current source: galvanostat; current density 200 mA cm-2; current consumption: 1.4 F mol-1; cell voltage 11-15 V;	A 17% B 28% C 34%

...Expand

2-Hexyldecanoic acid Chemical Properties

Empirical Formula: C₁₆H₃₂O₂
Molecular Weight: 256.4241 g/mol
EINECS: 246-885-9
Index of Refraction: 1.452
Density: 0.891 g/cm³
Flash Point: 207.1 °C
Enthalpy of Vaporization: 67.86 kJ/mol
Boiling Point: 371 °C at 760 mmHg
Vapour Pressure: 1.6E-06 mmHg at 25 °C
Melting point: 10 °C
Appearance: Colourless to yellow liquid
The structure of 2-Hexyldecanoic acid (CAS NO.25354-97-6):

IUPAC Name: 2-Hexyldecanoic acid
Canonical SMILES: CCCCCCCCC(CCCCCC)C(=O)O
InChI: InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
InChIKey: JMOLZNNXZPAGBH-UHFFFAOYSA-N
Product Categories of 2-Hexyldecanoic acid (CAS NO.25354-97-6): Carbonyl Compounds;Carboxylic Acids

2-Hexyldecanoic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 1gm/kg (1000mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953.
rat	LDLo	intraperitoneal	300mg/kg (300mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953.

2-Hexyldecanoic acid Consensus Reports

Reported in EPA TSCA Inventory.

2-Hexyldecanoic acid Safety Profile

Poison by intraperitoneal route. When heated to decomposition 2-Hexyldecanoic acid (CAS NO.25354-97-6) emits acrid smoke and fumes.
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.

2-Hexyldecanoic acid Specification

2-Hexyldecanoic acid ,its cas register number is 25354-97-6. It also can be called Decanoic acid, 2-hexyl- ; and 2-Hexyldecansaeure .

Product Name

2-HEXYLDECANOIC ACID

Synthetic route

2-Hexyldecanoic acid Chemical Properties

2-Hexyldecanoic acid Toxicity Data With Reference

2-Hexyldecanoic acid Consensus Reports

2-Hexyldecanoic acid Safety Profile

2-Hexyldecanoic acid Specification

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