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Merck
CN

340332

(S)-(+)-2-庚醇

98%

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线性分子式:
CH3(CH2)4CH(OH)CH3
化学文摘社编号:
分子量:
116.20
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352001
MDL number:
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产品名称

(S)-(+)-2-庚醇, 98%

InChI

1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1

SMILES string

CCCCC[C@H](C)O

InChI key

CETWDUZRCINIHU-ZETCQYMHSA-N

vapor density

4 (vs air)

vapor pressure

1 mmHg ( 15 °C)

assay

98%

form

liquid

optical activity

[α]24/D +10°, neat

optical purity

ee: 97% (GLC)

refractive index

n20/D 1.421 (lit.)

bp

149-150 °C (lit.)

density

0.815 g/mL at 25 °C (lit.)

functional group

hydroxyl

Quality Level

Application

(S)-(+)-2-Heptanol can be used as a starting material to synthesize:
  •  (S)-(+)-2-benzoyloxyheptane by treating with benzoyl anhydride and Et3N in the presence of DMAP.       
  • (S)-2-(p-toluenesulfonyl)heptane by reacting with p-toluenesulfonyl chloride.      
  •   (+)-2-Heptyl acetate by treating with acetyl chloride.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

147.2 °F - closed cup

flash_point_c

64 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Enantioselective multidimensional gas chromatography of some secondary alcohols and their acetates from banana
Schubert, V, et al.
Zeitschrift fur Naturforschung B, 46(1-2), 33-36 (1991)
Christiane Kiske et al.
Journal of agricultural and food chemistry, 64(45), 8563-8571 (2016-11-04)
The absolute configurations of chiral β-mercaptoalkanones were previously assigned on the basis of the 1H NMR anisotropy method using (S)-2-methoxy-2-(1-naphthyl)propionic acid ((S)-MαNP) as the chiral auxiliary. This study presents a reinvestigation of the configurations of 4-mercapto-2-pentanone 1, 4-mercapto-2-heptanone 2, and
A study on the stereochemistry of direct conversion of polyamides to hydroxyesters using monomeric secondary chiral amines as a model compound
Kamimura A, et al.
Polymer Degradation and Stability, 160, 162-167 (2019)

商品

Chiral Alcohols

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