Ethyl linalool

C11H20OCAS 10339-55-6168.28 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C11H20O
Molar mass
168.28 g/mol
Exact mass
168.1514 Da
Boiling point
132 °C (at 86 Torr)
logP
3.06Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,792 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
10339-55-6
SMILES
C=CC(C)(O)CCC=C(C)CC
InChIKey
KRLBLPBPZSSIGH-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3

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Names and synonyms

3 names
  • 1,6-Nonadien-3-ol, 3,7-dimethyl-
  • 3,7-Dimethyl-1,6-nonadien-3-ol
  • Methyllinalool

Work with Ethyl linalool

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

Geranyllinalool1113-21-967 % similar trans-Nerolidol40716-66-367 % similar Nerolidol7212-44-467 % similar (-)-Linalool126-91-066 % similar 3,7-Dimethyl-1,6-octadien-3-ol78-70-666 % similar 3-Methyl-1-penten-3-ol918-85-446 % similar Isophytol505-32-837 % similar Linalyl propionate144-39-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

10-Undecenal112-45-8 2-n-Butyl-2-methylcyclohexanone1197-78-0 2-Hexylcyclopentanone13074-65-2 4-tert-Amylcyclohexanone16587-71-6 2-Undecenal2463-77-6 10-Undecyn-1-ol2774-84-7 (E)-2-Undecenal53448-07-0 4-Pentylcyclohexanone61203-83-6

Elsewhere

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