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Sigma-Aldrich

(S)-(+)-2-Heptanol

98%

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About This Item

Linear Formula:
CH3(CH2)4CH(OH)CH3
CAS Number:
6033-23-4
Molecular Weight:
116.20
MDL number:
MFCD00065003
UNSPSC Code:
12352001
PubChem Substance ID:
24860798
NACRES:
NA.22

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

SMILES string

CCCCC[C@H](C)O

InChI

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

InChI key

CETWDUZRCINIHU-ZETCQYMHSA-N

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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

147.2 °F - closed cup

Flash Point(C)

64 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW1861
MKCS6359
MKCS6360
MKCB6992
MKBX8597V

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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)
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)

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