Tetrahydrolavandulol

Base Information

• Chemical Name: Tetrahydrolavandulol
• CAS No.: 2051-33-4
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• Hs Code.: 2905199090
• European Community (EC) Number: 218-119-3
• NSC Number: 65622
• DSSTox Substance ID: DTXSID60870928
• Nikkaji Number: J95.540J
• Wikidata: Q105251776
• Mol file: 2051-33-4.mol

Synonyms:Tetrahydrolavandulol;2051-33-4;2-Isopropyl-5-methylhexan-1-ol;1-Hexanol, 5-methyl-2-(1-methylethyl)-;5-methyl-2-propan-2-ylhexan-1-ol;2-Isopropyl-5-methylhexanol;EINECS 218-119-3;5-methyl-2-(1-methylethyl)-hexan-1-ol;NSC65622;NCIOpen2_000231;SCHEMBL671825;2-Isopropyl-5-methyl-1-hexanol;DTXSID60870928;2-Isopropyl-5-methyl-1-hexanol #;MFCD00067466;NSC 65622;NSC-65622;AKOS009159533;5-methyl-2-(propan-2-yl)hexan-1-ol;SB85077;BS-49382;FT-0691726;E84750;A905897;J-013373

Chemical Property of Tetrahydrolavandulol

Chemical Property:

• Vapor Pressure: 0.0423mmHg at 25°C
• Melting Point: -1.53°C (estimate)
• Refractive Index: 1.431
• Boiling Point: 211 °C at 760 mmHg
• PKA: 15.00±0.10(Predicted)
• Flash Point: 79.9 °C
• PSA: 20.23000
• Density: 0.823 g/cm³
• LogP: 2.68710
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 86.9

Purity/Quality:

98%min ^*data from raw suppliers

TETRAHYDROLAVANDULOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCC(CO)C(C)C

Technology Process of Tetrahydrolavandulol

There total 18 articles about Tetrahydrolavandulol 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: 50.0%

i-Amyl alcohol (123-51-3) → 2-isopropyl-5-methylhexan-1-ol (2051-33-4)

Guidance literature:

With dichloro(pentamethylcyclopentadienyl) iridium; potassium tert-butylate; 1,7-Octadiene; In para-xylene; at 120 ℃; for 4h;

DOI:10.1021/jo061400t

Reference yield:

i-Amyl alcohol (123-51-3) + isovaleraldehyde (590-86-3) → 2-isopropyl-5-methylhexan-1-ol (2051-33-4)

Guidance literature:

With potassium hydroxide; 5%-palladium/activated carbon; In water; at 180 ℃; for 18h; under 1050.11 - 3450.35 Torr;

Reference yield:

(2E)-5-methyl-2-(1-methylethenyl)-2,4-hexadien-1-ol (1192225-56-1) → 2-isopropyl-5-methylhexan-1-ol (2051-33-4)

Guidance literature:

With sodium hypophosphite; palladium 10% on activated carbon; In water; ethanethiol; at 50 ℃; for 4h;

upstream raw materials:

i-Amyl alcohol

2-isopropyl-5-methylhex-4-en-1-ol

2-isopropyl-5-methyl-hex-3t-en-1-ol

5-Methyl-2-(1'-methylethyliden)-4-hexen-1-ol

Downstream raw materials:

2.6-dimethyl-3-formyl-heptane

2-Isopropyl-5-methyl-hexansaeure

2-isopropyl-5-methylhexyl acetate

Refernces

• 1、 -. "COSMETIC EXCIPIENT INCLUDING A C8-C10 ALKANE AND A C>= 11 ALKANES". Paragraph 0295-0304. . Retrieved 2021/05/28.
• 2、 -. "METHOD FOR PRODUCING BRANCHED ALCOHOLS". Paragraph 0180-0182. . Retrieved 2016/12/12.