Isooctyl acrylate

C₁₁H₂₀O₂CAS 29590-42-9184.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₀O₂
Molar mass: 184.28 g/mol
Exact mass: 184.1463 Da
Density: 0.9 g/mL
Boiling point: 196.8 °C
Flash point: 91 °C (closed cup)
Water solubility: 10 mg/L (23 °C)
logP: 2.93Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritationSkin corrosion/irritation
H319 Causes serious eye irritationSerious eye damage/eye irritation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-244-00-2), via PubChem.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

29590-42-9

SMILES

CC(C)CCCCCOC(=O)C=C

InChIKey

DXPPIEDUBFUSEZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3

Weigh it out

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

Names and synonyms

8 names

2-Propenoic acid, isooctyl ester
Acrylic acid, isooctyl ester
SR 440
Light acrylate IO-A
IO-AA
DS 2051
Sartomer SR 440
Miramer M 1084

Work with Isooctyl acrylate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diisooctyl maleate1330-76-373 % similar 1,6-Hexanediol diacrylate13048-33-470 % similar 1,4-Butylene glycol diacrylate1070-70-867 % similar Hexadecyl acrylate13402-02-363 % similar Decyl acrylate2156-96-963 % similar Lauryl acrylate2156-97-063 % similar Hexyl acrylate2499-95-863 % similar Stearyl acrylate4813-57-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexyl acrylate103-11-7 γ-Undecalactone104-67-6 Citronellyl formate105-85-1 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-4 Undecylenic acid112-38-9 Octyl acrylate2499-59-4 cis-3-Hexenyl isovalerate35154-45-1 cis-3-Hexenyl valerate35852-46-1

Elsewhere

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