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Name	2-Hexyldecanoic acid	EINECS	246-885-9
CAS No.	25354-97-6	Density	0,88 g/cm3
PSA	37.30000	LogP	5.40820
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	N/A	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

2-Hexyldecanoic acid 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%

: 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-benzochromene-1,3-diol: (+-)-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-benzochromene-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

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 .

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