(S)-(+)-2-Heptanol

Base Information Edit

Chemical Name:(S)-(+)-2-Heptanol
CAS No.:6033-23-4
Molecular Formula:C7H16 O
Molecular Weight:116.203
Hs Code.:2905199090
European Community (EC) Number:624-220-7
UNII:7XQ9F7KYPW
Nikkaji Number:J51.710K
Wikidata:Q27159571
Metabolomics Workbench ID:3336
Mol file:6033-23-4.mol

Synonyms:(S)-(+)-2-Heptanol;6033-23-4;(S)-Heptan-2-ol;(2S)-heptan-2-ol;(2S)-2-heptanol;2-Heptanol, (S)-;2-Heptanol, (+)-;d-2-Heptanol;Heptan-2S-ol;(s)-2-heptanol;(+)-2-heptanol;UNII-7XQ9F7KYPW;7XQ9F7KYPW;(S)-(+)-2-Heptanol 98%;2-Heptanol, (2S)-;2-Heptanol #;(s)-2-hydroxyheptane;2-Heptanol, ()-;(S)-(+)-Heptanol;D-2-HYDROXYHEPTANE;D-AMYLMETHYLCARBINOL;(S)-(+)-2-Hydroxyheptane;SCHEMBL1876506;BDBM36163;CHEBI:87378;CETWDUZRCINIHU-ZETCQYMHSA-N;(S)-(+)-2-Heptanol, 98%;LMFA05000478;MFCD00065003;2-HEPTANOL (2S)-FORM [MI];CS-0179417;D97162;EN300-1855405;A832694;Q27159571

Suppliers and Price of (S)-(+)-2-Heptanol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
(S)-(+)-2-Heptanol 98%
1g
$ 70.30

American Custom Chemicals Corporation
(S)-(+)-2-HEPTANOL 95.00%
1G
$ 695.03

Alfa Aesar
(S)-(+)-2-Heptanol, 98%
5g
$ 213.00

Alfa Aesar
(S)-(+)-2-Heptanol, 98%
1g
$ 61.10

Alfa Aesar
(S)-(+)-2-Heptanol, 98%
250mg
$ 25.70

AHH
(S)-(+)-2-Heptanol 98%
10g
$ 380.00

Total 43 raw suppliers

Chemical Property of (S)-(+)-2-Heptanol Edit

Chemical Property:

Appearance/Colour:Colorless to light yellow liquid
Vapor Pressure:1 mm Hg ( 15 °C)
Melting Point:-30.45°C (estimate)
Refractive Index:n20/D 1.421(lit.)
Boiling Point:149-150 °C(lit.)
PKA:15.44±0.20(Predicted)
Flash Point:64 ºC
PSA：20.23000
Density:0.815
LogP:1.94750
Water Solubility.:Soluble in water(3569 mg/L at 25°C).
XLogP3:2.3
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)-(+)-2-Heptanol 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCCC(C)O
Isomeric SMILES:CCCCC[C@H](C)O
Uses (S)-(+)-2-Heptanol is used as pharmaceutical intermediate.

Technology Process of (S)-(+)-2-Heptanol

There total 14 articles about (S)-(+)-2-Heptanol 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: 30.0%

: 123-82-0
2-heptylamine

: 6033-23-4
(S)-2-heptanol

: 123-82-0,6240-90-0,7795-34-8,44745-29-1
(R)-2-heptylamine

Guidance literature:: With pyridoxal 5'-phosphate; sodium pyruvate; isopropyl alcohol; NADH; In aq. phosphate buffer; at 30 ℃; for 24h; pH=7.5; Microbiological reaction; Resolution of racemate; Flow reactor; Enzymatic reaction;
DOI:10.1002/cbic.201800286

Reference yield:

: 142-82-5
n-heptane

: 62701-49-9
(3R)-heptan-3-ol

: 26549-25-7
S-(+)-3-heptanol

: 6033-23-4
(S)-2-heptanol

: 6033-24-5
(R)-2-heptanol

: 589-55-9
heptan-4-ol

Guidance literature:: With NADH dependent P₄₅₀BM₃ monooxygenase 19A 12 from Bacillus megaterium; oxygen; NADH; catalase; In aq. phosphate buffer; ethanol; at 20 ℃; pH=8; enantioselective reaction; Catalytic behavior; Enzymatic reaction;
DOI:10.1002/adsc.201300143

Reference yield:

: 142-82-5
n-heptane

: 26549-25-7
S-(+)-3-heptanol

: 6033-23-4
(S)-2-heptanol

: 589-55-9
heptan-4-ol

Guidance literature:: With D-glucose; minimal medea according to Dworkin et al; at 30 ℃; for 18h; Product distribution; Microbiological reaction; Bacillus megaterium;
DOI:10.1002/1099-0690(200008)2000:16<2923::AID-EJOC2923>3.0.CO;2-L