CAS No.58670-89-6,2-DECYL-1-TETRADECANOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	58670-89-6
Name:	2-DECYL-1-TETRADECANOL
Article Data:	6

Formula:	C₂₄H₅₀O
Molecular Weight:	354.66
Synonyms:	2-Decyl-1-tetradecanol;2-Decylmyristyl alcohol;2-Decyltetradecanol;2-Decyltetradecyl alcohol;Guerbet C24;Isofol 24;NJCOL 240A;
EINECS:	261-385-0
Density:	0.839 g/cm³
Melting Point:	17-20 °C (lit.)
Boiling Point:	406.7 °C at 760 mmHg
Flash Point:	135.3 °C
PSA:	20.23000
LogP:	8.43670

Synthetic route

: 112-53-8
1-dodecyl alcohol

: 58670-89-6
2-decylteradecanol

Conditions

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl) iridium; potassium tert-butylate; 1,7-Octadiene In para-xylene at 120℃; for 4h; Guerbet reaction;	86%
With heptanal; potassium hydroxide at 250℃; under 300 Torr; for 4h; Guerbet Reaction; Dean-Stark;

: 112-54-9
Dodecanal

: 100-51-6
benzyl alcohol

A: 58670-89-6
2-decylteradecanol

B: 107613-30-9
2-benzyldodecan-1-ol

Conditions

Conditions	Yield
With potassium hydroxide at 205℃;

...Expand

: 112-54-9
Dodecanal

A: 58670-89-6
2-decylteradecanol

B α-decyl-hydrocinnamyl alcohol: α-decyl-hydrocinnamyl alcohol

Conditions

Conditions	Yield
With potassium hydroxide at 205℃;

: 112-54-9
Dodecanal

benzyl alcoholic KOH: benzyl alcoholic KOH

A: 58670-89-6
2-decylteradecanol

B: 65-85-0
benzoic acid

C α-decyl-hydrocinnamyl alcohol: α-decyl-hydrocinnamyl alcohol

...Expand

: 58670-89-6
2-decylteradecanol

: 732276-63-0
11-bromomethyl-tricosane

Conditions

Conditions	Yield
Stage #1: 2-decylteradecanol With triphenylphosphine In dichloromethane at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: With N-Bromosuccinimide In dichloromethane for 16h;	98%
With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 0 - 20℃; for 24h;	97%
With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 20℃; for 50h; Cooling with ice;	95%

: 123-05-7
d,l-2-ethylhexanal

: 58670-89-6
2-decylteradecanol

: (Z)-11-(((2-ethylhex-1-en-1-yl)oxy)methyl)tricosane ether

Conditions

Conditions	Yield
With pyridine; toluene-4-sulfonic acid In toluene at 145 - 150℃; for 5h; Temperature; Reagent/catalyst; Solvent; Dean-Stark;	98%

: 58670-89-6
2-decylteradecanol

: 13893-38-4
2-decyltetradecanal

Conditions

Conditions	Yield
With Dess-Martin periodane In dichloromethane for 5h; Inert atmosphere;	97%
With pyridinium chlorochromate

: 58670-89-6
2-decylteradecanol

: 98-59-9
p-toluenesulfonyl chloride

: 132004-78-5
toluene-4-sulfonic acid 2-decyl-1-tetradecyl ester

Conditions

Conditions	Yield
Stage #1: 2-decylteradecanol With trimethylamine hydrochloride; triethylamine In dichloromethane for 0.333333h; Cooling with ice; Stage #2: p-toluenesulfonyl chloride In dichloromethane at 0℃; for 3h;	95%
Stage #1: 2-decylteradecanol; p-toluenesulfonyl chloride With pyridine In dichloromethane at 0 - 20℃; for 3h; Stage #2: With water In dichloromethane at 0℃;	88%
With pyridine In dichloromethane at 20℃; for 3h; Cooling with ice;	88%

: 7483-59-2
1-(2,3-dihydroxy propyl)piperazine

: 58670-89-6
2-decylteradecanol

: 3-(4-(2-decyltetradecyl)-1-piperazinyl)-1,2-propanediol

Conditions

Conditions	Yield
Stage #1: 2-decylteradecanol With methanesulfonyl chloride; triethylamine In dichloromethane at -10 - 25℃; for 17.5h; Inert atmosphere; Stage #2: 1-(2,3-dihydroxy propyl)piperazine In ethanol at 150℃; for 13h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	94%

: 58670-89-6
2-decylteradecanol

: 93778-52-0
2-decyltetradecanoic acid

Conditions

Conditions	Yield
With Jones reagent In acetone at 0℃; Jones Oxidation;	92.3%

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Specification

The 1-Tetradecanol, 2-decyl-, with the CAS registry number of 58670-89-6, is also known as 2-Decyl-1-tetradecano and . It belongs to the product categories of Alcohols; C9 to C30; Oxygen Compounds. Its EINECS registry number is 261-385-0. This chemical's molecular formula is C₂₄H₅₀O and molecular weight is 354.65. What's more, its IUPAC name is 2-Decyltetradecan-1-ol. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about 1-Tetradecanol, 2-decyl- are: (1)ACD/LogP: 11.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.32; (4)ACD/LogD (pH 7.4): 11.32; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 114.73 cm³; (15)Molar Volume: 422.5 cm³; (16)Surface Tension: 31.4 dyne/cm; (17)Density: 0.839 g/cm³; (18)Flash Point: 135.3 °C; (19)Enthalpy of Vaporization: 76.09 kJ/mol; (20)Boiling Point: 406.7 °C at 760 mmHg; (21)Vapour Pressure: 2.62E-08 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce [11-(2, 5-Dioxo-pyrrolidin-1-yloxycarbonyloxy)-undecyl]-phosphonic acid 2-decyl-tetradecyl ester 4-nitro-phenyl ester. The reaction needs reagent Et₃N and solvent CH₂Cl₂. The reaction time is 4 hours with reaction temperature of 20 °C. The yield is about 57 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(CCCCCCCCCCCC)CCCCCCCCCC
(2) InChI: InChI=1/C24H50O/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3
(3) InChIKey: CAYHVMBQBLYQMT-UHFFFAOYAL