Dihydroterpinyl acetate

C₁₂H₂₂O₂CAS 58985-18-5198.31 g/mol

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Properties

Molecular formula: C₁₂H₂₂O₂
Molar mass: 198.31 g/mol
Exact mass: 198.1620 Da
logP: 3.15Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction79.6% of notifiers
H319 Causes serious eye irritation79.9% of notifiers
H411 Toxic to aquatic life with long lasting effects83.7% of notifiers

Aggregated from 1,634 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

58985-18-5

SMILES

CC1CCC(CC1)C(C)(C)OC(=O)C

InChIKey

HBNHCGDYYBMKJN-UHFFFAOYSA-N

InChI

InChI=1S/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3

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Names and synonyms

3 names

Terpineol, dihydro-, acetate
Dihydroterpineol acetate
Menthanyl acetate

Work with Dihydroterpinyl acetate

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

Similar compounds

(±)-α-Terpinyl acetate80-26-253 % similar p-Menthane hydroperoxide80-47-750 % similar 4-tert-Butylcyclohexyl acetate32210-23-442 % similar Dihydro-α-terpineol498-81-741 % similar tert-Butyl acetate540-88-541 % similar Menthyl acetate2623-23-638 % similar (±)-Menthyl acetate89-48-538 % similar 2-Methylbutyl acetate624-41-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 (1,1'-Bi(cyclohexane))-2,2'-diol17385-36-3 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1

Elsewhere

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