11-Hexadecen-1-ol, (11E)- supplier

Name
(E)-hexadec-11-en-1-ol
EINECS 262-704-6
CAS No. 61301-56-2
Article Data6
CAS DataBase
Density 0.847 g/cm³
Solubility
Melting Point
Formula C₁₆H₃₂O
Boiling Point 309 °C at 760 mmHg
Molecular Weight 240.429
Flash Point 134.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 11-Hexadecen-1-ol,(E)-;(E)-11-Hexadecen-1-ol;(E)-11-Hexadecenol;trans-11-Hexadecen-1-ol;
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

: 50816-20-1
2-(8-bromooctyloxy)tetrahydropyran

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) Mg, 2) Li2CuCl4 / 1) THF, 2) THF, a) -70 deg C to 20 deg C over 45 min, b) 2 h at 20 deg C 2: 92 percent / TsOH*Py / methanol / 3 h / 45 °C View Scheme

: 53155-10-5
(E)-1-oct-3-enyl bromide

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) Mg, 2) Li2CuCl4 / 1) THF, 2) THF, a) -70 deg C to 20 deg C over 45 min, b) 2 h at 20 deg C 2: 92 percent / TsOH*Py / methanol / 3 h / 45 °C View Scheme
Multi-step reaction with 2 steps 1: 1) BuLi / 1) HMPA, THF, hexane, 1 h, -50 deg C, 2) 30 min at -50 deg C, 1 h at 20 deg C 2: 61 percent / Li/NH3 / tetrahydrofuran / 1 h / -60 °C View Scheme

: 86652-97-3
Phenylsulfonyl-8 octanol-1

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) BuLi / 1) HMPA, THF, hexane, 1 h, -50 deg C, 2) 30 min at -50 deg C, 1 h at 20 deg C 2: 61 percent / Li/NH3 / tetrahydrofuran / 1 h / -60 °C View Scheme

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

: 57491-33-5
E-11-Hexadecenal

Conditions

Conditions	Yield
With oxalyl dichloride; dimethyl sulfoxide In dichloromethane at -60℃; for 0.25h;	98%
With pyridinium chlorochromate In dichloromethane at 20 - 25℃;	85%
With pyridinium chlorochromate In dichloromethane at 20℃; for 1h;	84%
With pyridinium chlorochromate In dichloromethane

: 401-67-2
2,2-difluoroacetic anhydride

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

: trans-11-hexadecenyl trifluoroacetate

Conditions

Conditions	Yield
With dmap In dichloromethane at 0 - 20℃;	85%

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

: 108-24-7
acetic anhydride

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

Conditions

Conditions	Yield
With pyridine at 20℃;	82%
With pyridine

: 98-91-9
thiobenzoic acid

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

: cis*11-hexadecenyl thiobenzoate

Conditions

Conditions	Yield
With diisopropyl (E)-azodicarboxylate; triphenylphosphine In tetrahydrofuran	74%

: 624-92-0
Dimethyldisulphide

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

: C18H38S2O

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

: 102637-06-9
trans-2,trans-13-octadecadien-1-ol acetate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 85 percent / pyridinium chlorochromate / CH2Cl2 / 20 - 25 °C 2: 81.6 percent / NaH / tetrahydrofuran 3: 94 percent / diisobutylaluminum hydride / tetrahydrofuran; toluene / 1 h / -22 - -20 °C 4: 92 percent / pyridine / benzene View Scheme

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

: 403857-84-1
trans-2,trans-13-octadecadien-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 85 percent / pyridinium chlorochromate / CH2Cl2 / 20 - 25 °C 2: 81.6 percent / NaH / tetrahydrofuran 3: 94 percent / diisobutylaluminum hydride / tetrahydrofuran; toluene / 1 h / -22 - -20 °C View Scheme

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

: 136498-35-6
ethyl ester of trans-2,trans-13-octadecadienoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85 percent / pyridinium chlorochromate / CH2Cl2 / 20 - 25 °C 2: 81.6 percent / NaH / tetrahydrofuran View Scheme

: 624-92-0
Dimethyldisulphide

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

: C18H38OS2

Conditions

Conditions	Yield
With iodine In diethyl ether; hexane at 40℃; for 15h;

11-Hexadecen-1-ol, (11E)- 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

Product Name

(E)-hexadec-11-en-1-ol

Synthetic route

11-Hexadecen-1-ol, (11E)- Specification

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