Allyl amyl glycolate

C₁₀H₁₈O₃CAS 67634-00-8186.25 g/mol

Open in Covalent MOL file

Alkene Ester Ether

Properties

Molecular formula: C₁₀H₁₈O₃
Molar mass: 186.25 g/mol
Exact mass: 186.1256 Da
Density: 0.941 g/mL (at 20 °C)
Flash point: 67.8 °C
Water solubility: < 1 g/L (20 °C)
logP: 1.78Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation93.4% of notifiers

Aggregated from 1,865 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P501

Identifiers

CAS number

67634-00-8

SMILES

C=CCOC(=O)COCCC(C)C

InChIKey

XCWPXUNHSPOFGV-UHFFFAOYSA-N

InChI

InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3

Weigh it out

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

Names and synonyms

3 names

Allyl 2-(isopentyloxy)acetate
Acetic acid, 2-(3-methylbutoxy)-, 2-propen-1-yl ester
Acetic acid, (3-methylbutoxy)-, 2-propenyl ester

Work with Allyl amyl glycolate

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

Allyl propionate2408-20-049 % similar Allyl butyrate2051-78-746 % similar 1,6-Di-2-propen-1-yl hexanedioate2998-04-146 % similar Allyl cyclohexanepropionate2705-87-545 % similar Allyl acetoacetate1118-84-945 % similar 2-Propen-1-yl 2-chloroacetate2916-14-545 % similar Isoamyl isovalerate659-70-145 % similar Allyl lactate5349-55-344 % similar

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

Same formula

2-Butoxyethyl methacrylate13532-94-0 10-Hydroxy-2-decenoic acid14113-05-4 Isovaleric anhydride1468-39-9 Pivalic anhydride1538-75-6 2-Acetylhexanoic acid ethyl ester1540-29-0 Valeric anhydride2082-59-9 10-Hydroxy-2-decenoic acid765-01-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook