378712
(1S)-(+)-氯甲酸薄荷酯
optical purity ee: 97% (GLC)
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关于此项目
经验公式（希尔记法）:
C11H19ClO2
化学文摘社编号:
分子量:
218.72
UNSPSC Code:
12352101
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2414685
Form:
liquid
InChI
1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
SMILES string
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(Cl)=O
InChI key
KIUPCUCGVCGPPA-AEJSXWLSSA-N
form
liquid
optical activity
[α]20/D +83°, c = 1 in chloroform
optical purity
ee: 97% (GLC)
refractive index
n20/D 1.458 (lit.)
bp
108-109 °C/11 mmHg (lit.)
density
1.031 g/mL at 25 °C (lit.)
functional group
chloro
storage temp.
2-8°C
Quality Level
Application
不对称合成季碳中心的手性助剂。
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Inhalation - Skin Corr. 1B
存储类别
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
158.0 °F - closed cup
flash_point_c
70 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Tetrahedron Letters, 26, 5433-5433 (1985)
Mohammad Mehdi Koleini et al.
The journal of physical chemistry. B, 124(1), 224-233 (2019-12-10)
This study aims to elucidate the impact of salinity on the interactions governing the adsorption of polar aromatic oil compounds onto calcite. To this end, molecular dynamics simulations were employed to assess adsorption of a model polar organic molecule (deprotonated
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