(S)-(+)-4-Methyl-1-hexanol

Base Information

• Chemical Name: (S)-(+)-4-Methyl-1-hexanol
• CAS No.: 1767-46-0
• Molecular Formula: C7H16O
• Molecular Weight: 116.203
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID20541465
• Nikkaji Number: J1.291.727I
• Wikidata: Q82417833
• Mol file: 1767-46-0.mol

Synonyms:(S)-(+)-4-Methyl-1-hexanol;1767-46-0;(S)-4-Methylhexan-1-ol;(4S)-4-Methylhexan-1-ol;1-Hexanol, 4-methyl-, (4S)-;1-Hexanol,4-methyl-,(4S)-;(S)-4-methyl-1-hexanol;1-Hexanol, 4-methyl-, (S)-;4-Methyl-1-hexanol #;(S)-4-methyl-hexan-1-ol;SCHEMBL2331155;DTXSID20541465;CHEBI:211101;MFCD00221492;AKOS015840015;AKOS015911839;BS-21816;A3926;M0964;T71938;J-011225

Chemical Property of (S)-(+)-4-Methyl-1-hexanol

Chemical Property:

• Refractive Index: 7.5 ° (C=neat)
• Boiling Point: 173 °C at 760 mmHg
• PKA: 15.20±0.10(Predicted)
• Flash Point: 61.8 °C
• PSA: 20.23000
• Density: 0.818 g/cm³
• LogP: 1.80500
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 43.7

Purity/Quality:

99% ^*data from raw suppliers

(S)-(+)-4-Methyl-1-hexanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCCO
• Isomeric SMILES: CC[C@H](C)CCCO

Technology Process of (S)-(+)-4-Methyl-1-hexanol

There total 27 articles about (S)-(+)-4-Methyl-1-hexanol 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%

benzyl (4S)-4-methylhexyl ether (1580449-05-3) → (S)-4-methyl-1-hexanol (1767-46-0)

Guidance literature:

With ammonia; sodium; In diethyl ether; at -78 ℃;

DOI:10.1134/S1070428014020043

Reference yield: 96.0%

(S)-4-methylhexanoic acid (1730-89-8) → (S)-4-methyl-1-hexanol (1767-46-0)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether; Heating;

DOI:10.1002/hlca.19880710218

Reference yield: 93.0%

(4S)-4-methylhexanal (32751-95-4) → (S)-4-methyl-1-hexanol (1767-46-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)60065-5

upstream raw materials:

(4S)-4-methylhexanal

(S)-4-methylhexanoic acid

(+)-(S)-methyl 4-methylhexanoate

ethyl (S)-4-methylhexanoate

Downstream raw materials:

(S)-1-bromo-4-methylhexane

2-((S)-4-Methyl-hexyloxy)-5-(4-octyl-phenyl)-pyrimidine

5-(4-Decyloxy-phenyl)-2-((S)-4-methyl-hexyloxy)-pyrimidine

(+)-(S)-methyl 4-methylhexanoate

Refernces

• 1、 Mineeva. "(3S,5R)-6-(benzyloxy)-3-methylhexane-1,5-diol in the synthesis of insect pheromones with methyl-branched carbon chain and of amphidinolide L C 7 -C 14 fragment". . p. 168 - 174. Retrieved 2014/04/17.
• 2、 Larsson, Michael,Nguyen, Ba-Vu,H?gberg, Hans-Erik,Hedenstr?m, Erik. "Syntheses of the sixteen stereoisomers of 3,7,11-trimethyl-2-tridecanol, including the (2S,3S,7S,11R) and (2S,3S,7S,11S) stereoisomers identified as pheromone precursors in females of the pine sawfly Microdiprion pallipes (Hymenoptera: Diprionidae)". . p. 353 - 363. Retrieved 2007/10/03.