(+)-Menthyl chloroformate

C₁₁H₁₉ClO₂CAS 7635-54-3218.72 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₉ClO₂
Molar mass: 218.72 g/mol
Exact mass: 218.1074 Da
logP: 3.82Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Stereocentres: R, S, Sin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H331 Toxic if inhaled97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

7635-54-3

SMILES

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

InChIKey

KIUPCUCGVCGPPA-AEJSXWLSSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Carbonochloridic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)-
Formic acid, chloro-, p-menth-3-yl ester, (+)-
Carbonochloridic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1S-(1α,2β,5α)]-

Work with (+)-Menthyl chloroformate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-Menthyl chloroformate14602-86-9Stereo not defined

Similar compounds

Menthyl acetate16409-45-365 % similar Menthyl acetate2623-23-665 % similar (±)-Menthyl acetate89-48-565 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-364 % similar Menthyl lactate17162-29-763 % similar l-Menthyl D-lactate59259-38-063 % similar L-Menthyl L-lactate61597-98-663 % similar (-)-Menthoxyacetyl chloride15356-62-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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