3-Cyclohexylpropan-1-ol

Base Information

• Chemical Name: 3-Cyclohexylpropan-1-ol
• CAS No.: 1124-63-6
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• Hs Code.: 29061900
• European Community (EC) Number: 214-401-5
• NSC Number: 20787
• UNII: KJB3VO906F
• DSSTox Substance ID: DTXSID0047244
• Nikkaji Number: J203.364J
• Wikidata: Q27282291
• ChEMBL ID: CHEMBL3184665
• Mol file: 1124-63-6.mol

Synonyms:3-Cyclohexylpropan-1-ol;3-Cyclohexyl-1-propanol;1124-63-6;Cyclohexanepropanol;3-cyclohexylpropanol;Cyclohexanepropanol-;3-Cyclohexylpropyl alcohol;UNII-KJB3VO906F;KJB3VO906F;DTXSID0047244;EINECS 214-401-5;NSC-20787;AI3-36433;NSC20787;Cyclohexylpropyl alcohol;3-Hydroxypropylcyclohexane;SCHEMBL78715;CHEMBL3184665;DTXCID8027244;PROPANOL, 3-CYCLOHEXYL-;3-Cyclohexyl-1-propanol, 99%;CLYAQFSQLQTVNO-UHFFFAOYSA-;Tox21_303632;MFCD00001528;NSC 20787;AKOS008996652;NCGC00256641-01;AS-44275;CAS-1124-63-6;CS-0186817;FT-0615567;EN300-18682;A894582;J-002782;Q27282291;Z87002514

Chemical Property of 3-Cyclohexylpropan-1-ol

Chemical Property:

• Vapor Pressure: 0.0274mmHg at 25°C
• Melting Point: -60 °C
• Refractive Index: n20/D 1.466(lit.)
• Boiling Point: 218 °C at 760 mmHg
• PKA: 15.19±0.10(Predicted)
• Flash Point: 101.7 °C
• PSA: 20.23000
• Density: 0.9 g/cm³
• LogP: 2.33920
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Cyclohexyl-1-propanol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)CCCO
• Uses: 3-Cyclohexyl-1-propanol was used in synthesis of 3-cyclohexylpropyl caffeate via trans-esterification by Candida antarctica lipase B.

Technology Process of 3-Cyclohexylpropan-1-ol

There total 49 articles about 3-Cyclohexylpropan-1-ol 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: 99.0%

allyl 3-cyclohexylpropionate (2705-87-5) → 3-cyclohexylpropan-1-ol (1124-63-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.1002/anie.201510014

Reference yield: 92.0%

cyclohexylmagnesiumchloride (931-51-1) + 1-chloro-3-hydroxypropane (627-30-5) → 3-cyclohexylpropan-1-ol (1124-63-6)

Guidance literature:

With 1-Phenylprop-1-yne; copper; In tetrahydrofuran; at 80 ℃; for 12h;

DOI:10.1039/c3cc46419a

Reference yield: 90.0%

2-(3-cyclohexyl-propoxy)-tetrahydro-pyran → 3-cyclohexylpropan-1-ol (1124-63-6)

Guidance literature:

With carbon tetrabromide; In methanol; at 65 ℃; for 2.5h; Heating;

DOI:10.1016/S0040-4039(98)02602-1

upstream raw materials:

3-Phenyl-1-propanol

ethyl 3-cyclohexylpropanoate

3-Phenylpropenol

2-cyclohexylmethyl-3-hydroxy-butyric acid ethyl ester

Downstream raw materials:

cyclohexylpropyl acetoacetate

(3R)-4-(4-toluenesulfonyl)thiomorpholine-3-carboxylic acid (3-cyclohexyl)-propyl ester

1-cyclohexylheptan-3-ol

3-cyclohexylpropanal

Refernces

• 1、 Martínez-Ferraté, Oriol,Chatterjee, Basujit,Werlé, Christophe,Leitner, Walter. "Hydrosilylation of carbonyl and carboxyl groups catalysed by Mn(i) complexes bearing triazole ligands". . p. 6370 - 6378. Retrieved 2019/11/20.
• 2、 -. "TRICYCLIC COMPOUND SERVING AS IMMUNOMODULATOR". Paragraph 0218-0219. . Retrieved 2019/01/04.