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About This Item
Linear Formula:
CH3(CH2)4CH(OH)CH3
CAS Number:
Molecular Weight:
116.20
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
vapor density
4 (vs air)
Quality Level
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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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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)
Articles
Chiral Alcohols
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