CAS No.61301-56-2,(E)-hexadec-11-en-1-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61301-56-2
Name:	(E)-hexadec-11-en-1-ol
Article Data:	6

Formula:	C₁₆H₃₂O
Molecular Weight:	240.429
Synonyms:	11-Hexadecen-1-ol,(E)-;(E)-11-Hexadecen-1-ol;(E)-11-Hexadecenol;trans-11-Hexadecen-1-ol;
EINECS:	262-704-6
Density:	0.847 g/cm³
Boiling Point:	309 °C at 760 mmHg
Flash Point:	134.9 °C
PSA:	20.23000
LogP:	5.23600

Synthetic route

: 56218-72-5
(E)-11-hexadecen-1-yl acetate

: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 0.5h; Ambient temperature;	97%

: 113267-16-6
1-(2-tetrahydropyranyloxy)-11E-hexadecene

: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In methanol at 45℃; for 3h;	92%

: 132255-29-9
8-phenylsulfonyl-11E-hexadecen-1-ol

: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
With ammonia; lithium In tetrahydrofuran at -60℃; for 1h;	61%

: 65686-49-9
11-hexadecyn-1-ol

: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran; diethylene glycol dimethyl ether at 140℃; for 48h;	56.3%
With lithium aluminium tetrahydride In diethylene glycol dimethyl ether at 130℃; for 5h;	1.1 g

: 110-62-3
pentanal

: 19101-00-9
(11‑hydroxyundecyl)triphenylphosphonium bromide

A: 56683-54-6
(Z)-11-hexadecen-1-ol

B: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
With sodium hydride; dimethyl sulfoxide In tetrahydrofuran for 0.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 51309-10-5
10-chlorodecanol

: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) lithium amide / 1.) HMPTA, RT, 1.5 h, 2.) HMPTA, 25 deg C, 8 h 2: 56.3 percent / LiAlH4 / bis-(2-methoxy-ethyl) ether; tetrahydrofuran / 48 h / 140 °C View Scheme

: 693-02-7
hex-1-yne

[Co2(CO)8]: [Co2(CO)8]

: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) lithium amide / 1.) HMPTA, RT, 1.5 h, 2.) HMPTA, 25 deg C, 8 h 2: 56.3 percent / LiAlH4 / bis-(2-methoxy-ethyl) ether; tetrahydrofuran / 48 h / 140 °C View Scheme

: 1611-56-9
1-Bromo-11-hydroxyundecane

: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / acetonitrile 2: DMSO, NaH / tetrahydrofuran / 0.5 h View Scheme

: 1119-64-8
1-bromohexyne

: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) ThxBHCl*Me2S, 2.) KIPBH, 3.) NaOMe, 4.) AcOH 2: 97 percent / 20percent aq. NaOH / aq. ethanol / 0.5 h / Ambient temperature View Scheme

: 50816-18-7
9-decen-1-yl acetate

: 61301-56-2
trans-11-hexadecen-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) ThxBHCl*Me2S, 2.) KIPBH, 3.) NaOMe, 4.) AcOH 2: 97 percent / 20percent aq. NaOH / aq. ethanol / 0.5 h / Ambient temperature View Scheme

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Specification

This chemical is called 11-Hexadecen-1-ol, (11E)-, and its systematic name is (11E)-hexadec-11-en-1-ol. With the molecular formula of C₁₆H₃₂O, its molecular weight is 240.42. The CAS registry number of this chemical is 61301-56-2.

Other characteristics of the 11-Hexadecen-1-ol, (11E)- can be summarised as followings: (1)ACD/LogP: 6.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.73; (4)ACD/LogD (pH 7.4): 6.73; (5)ACD/BCF (pH 5.5): 77122.36; (6)ACD/BCF (pH 7.4): 77122.36; (7)ACD/KOC (pH 5.5): 109603.27; (8)ACD/KOC (pH 7.4): 109603.27; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 77.76 cm³; (15)Molar Volume: 283.7 cm³; (16)Polarizability: 30.8×10^-24cm³; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 0.847 g/cm³; (19)Flash Point: 134.9 °C; (20)Enthalpy of Vaporization: 63.74 kJ/mol; (21)Boiling Point: 309 °C at 760 mmHg; (22)Vapour Pressure: 5.97E-05 mmHg at 25°C.

Production method of this chemical: The 11-Hexadecen-1-ol, (11E)- could be obtained by the reactants of (11-Hydroxyundecyl)-triphenylphosphoniumbromid and pentanal. This reaction needs the reagent of DMSO, NaH, and the solvent of tetrahydrofuran. The yield is 63 %. In addition, this reaction should be taken for 30 minutes.

11-Hydroxyundecyl)-triphenylphosphoniumbromid and pentanal 11-Hexadecen-1-ol, (11E)-

Uses of this chemical: The 11-Hexadecen-1-ol, (11E)- could react with acetic acid anhydride, and obtain the 11-hexadecenyl acetate. This reaction needs the reagent of pyridine. The yield is 100 %.

acetic acid anhydride and 11-Hexadecen-1-ol, (11E)- 11-hexadecenyl acetate

You can still convert the following datas into molecular structure:
1.SMILES: OCCCCCCCCCC/C=C/CCCC
2.InChI: InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5+
3.InChIKey: RHVMNRHQWXIJIS-AATRIKPKBB