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Key Documents

378712

Sigma-Aldrich

(1S)-(+)-Menthyl chloroformate

optical purity ee: 97% (GLC)

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About This Item

Empirical Formula (Hill Notation):
C11H19ClO2
CAS Number:
Molecular Weight:
218.72
Beilstein:
2414685
MDL number:
UNSPSC Code:
12352101
PubChem Substance ID:
NACRES:
NA.22

form

liquid

Quality Level

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.)

storage temp.

2-8°C

SMILES string

CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(Cl)=O

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

InChI key

KIUPCUCGVCGPPA-AEJSXWLSSA-N

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Application

Chiral auxiliary in the asymmetric synthesis of quaternary carbon centers.

Pictograms

Skull and crossbonesCorrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Inhalation - Skin Corr. 1B

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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