Cyclododecanol

Base Information

• Chemical Name: Cyclododecanol
• CAS No.: 1724-39-6
• Molecular Formula: C12H24O
• Molecular Weight: 184.322
• Hs Code.: 29061900
• European Community (EC) Number: 217-031-2
• NSC Number: 524960
• UNII: 0Z645Y4JTS
• DSSTox Substance ID: DTXSID1027429
• Nikkaji Number: J46.185G
• Wikidata: Q2648566
• Metabolomics Workbench ID: 125217
• ChEMBL ID: CHEMBL1872732
• Mol file: 1724-39-6.mol

Synonyms:CYCLODODECANOL;1724-39-6;UNII-0Z645Y4JTS;0Z645Y4JTS;DTXSID1027429;HSDB 5850;EINECS 217-031-2;NSC 524960;NSC-524960;EC 217-031-2;DTXCID707429;C12H24O;CAS-1724-39-6;Cyclododecanole;NSC524960;OC1CCCCCCCCCCC1;SCHEMBL50090;CYCLODODECANOL [HSDB];CHEMBL1872732;BAA72439;Tox21_201801;Tox21_303196;BBL011664;MFCD00003717;STK725113;AKOS005536870;NCGC00164257-01;NCGC00164257-02;NCGC00257204-01;NCGC00259350-01;AS-44254;LS-191394;CS-0214948;FT-0633797;EN300-20698;Q2648566;W-109122;F0001-0625

Chemical Property of Cyclododecanol

Chemical Property:

• Appearance/Colour: White crystalline solid
• Vapor Pressure: 0.000428mmHg at 25°C
• Melting Point: 77-78 °C
• Refractive Index: 1.454
• Boiling Point: 281.3 °C at 760 mmHg
• PKA: 15.58±0.20(Predicted)
• Flash Point: 117.4 °C
• PSA: 20.23000
• Density: 0.878 g/cm₃
• LogP: 3.65200
• Storage Temp.: Store below +30°C.
• Solubility.: 0.04g/l
• Water Solubility.: 40mg/L at 20℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 99.7

Purity/Quality:

99.9% ^*data from raw suppliers

Cyclododecanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: N,Xi
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C1CCCCCC(CCCCC1)O

Technology Process of Cyclododecanol

There total 90 articles about Cyclododecanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 48.0%

(phenylmethoxy)cyclododecane (121758-10-9) → cyclododecanol (1724-39-6) + cyclododecanone (830-13-7)

Guidance literature:

With manganese(II) chloride tetrahydrate; water; 3-chloro-benzenecarboperoxoic acid; 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine; In acetonitrile; at 0 - 20 ℃;

DOI:10.1002/asia.200900420

Reference yield: 47.0%

1,2-epoxycyclododecane (286-99-7) → cyclododecanol (1724-39-6) + cyclododecanone (830-13-7)

Guidance literature:

With hydrogen; 5 wt% Ru/carbon; at 100 ℃; for 2h; under 14701.5 Torr;

Reference yield: 46.0%

cyclododecyl (p-methoxy)benzyl ether (54384-81-5) → cyclododecanol (1724-39-6) + cyclododecanone (830-13-7)

Guidance literature:

With manganese(II) chloride tetrahydrate; water; 3-chloro-benzenecarboperoxoic acid; 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine; In acetonitrile; at 0 - 20 ℃;

DOI:10.1002/asia.200900420

upstream raw materials:

cyclododecanone

cyclododecyl acetate

1,2-epoxycyclododecane

cis-1,2-epoxycyclododecane

Downstream raw materials:

cyclododecyl acetate

phenyl-carbamic acid cyclododecyl ester

Cyclododecyl methyl ether

Phenyl-cyclododecoxy-diphendioxy-silan

Refernces

• 1、 Selvam,Dapurkar. "The effect of vanadium sources on the synthesis and catalytic activity of VMCM-41". . p. 64 - 71. Retrieved 2005.
• 2、 Khusainova, Liliya I.,Khafizova, Leila O.,Tyumkina, Tatyana V.,Ryazanov, Kirill S.,Popodko, Natalya R.,Dzhemilev, Usein M.. "An original one-pot approach to boronic esters using the titanium-catalyzed reaction of cyclic olefins with alkyldichloroboranes". . p. 8 - 11. Retrieved 2018.
• 3、 Balavoine, Gilbert,Barton, Derek H. R.,Boivin, Jean,Gref, Aurore,Ozbalik, Nubar,Riviere, Henriette. "An Efficient Electrochemical Process for the Oxidation of Saturated Hydrocarbons: the Gif-Orsay System". . p. 1727 - 1729. Retrieved 1986.
• 4、 Shein,Vlasova. "-". . p. 564. Retrieved 1963.
• 5、 Barton, Derek H. R.,Csuhai, Eva,Ozbalik, Nubar. "FUNCTIONALISATION OF SATURATED HYDROCARBONS. PART XVI. CHEMOSELECTIVE OXIDATION". . p. 3743 - 3752. Retrieved 1990.
• 6、 Al-Nayili, Abbas,Yakabi, Keiko,Hammond, Ceri. "Hierarchically porous BEA stannosilicates as unique catalysts for bulky ketone conversion and continuous operation". . p. 1373 - 1382. Retrieved 2016.
• 7、 Saito, Isao,Takayama, Masami,Matsuura, Teruo. "A NOVEL PHOTOOXIDATION OF HYDROCARBONS SENSITIZED BY 2,7-DIAZAPYRENIUM DICATION IN THE PRESENCE OF IRON CATALYST". . p. 2237 - 2240. Retrieved 1989.
• 8、 Shen, Hai-Min,Wang, Xiong,Ning, Lei,Guo, A-Bing,Deng, Jin-Hui,She, Yuan-Bin. "Efficient oxidation of cycloalkanes with simultaneously increased conversion and selectivity using O2 catalyzed by metalloporphyrins and boosted by Zn(AcO)2: A practical strategy to inhibit the formation of aliphatic diacids". . . Retrieved 2020/11/20.
• 9、 -. "Pincerlike molybdenum complex and preparation method thereof, catalytic composition and application thereof, and alcohol preparation method". Paragraph 0134-0140. . Retrieved 2021/08/11.