Hexyl acrylate

C₉H₁₆O₂CAS 2499-95-8156.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆O₂
Molar mass: 156.22 g/mol
Exact mass: 156.1150 Da
Density: 0.8882 g/mL (at 20 °C)
Melting point: −45 °C
Boiling point: 40 °C
Flash point: 68 °C (closed cup)
Water solubility: 400 mg/L
logP: 2.30Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritationSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-233-00-2), via PubChem.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2499-95-8

SMILES

C=CC(=O)OCCCCCC

InChIKey

LNMQRPPRQDGUDR-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3

Weigh it out

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

Names and synonyms

5 names

2-Propenoic acid, hexyl ester
Acrylic acid, hexyl ester
n-Hexyl acrylate
Hexyl 2-propenoate
NSC 11786

Work with Hexyl 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

Hexadecyl acrylate13402-02-3100 % similar Decyl acrylate2156-96-9100 % similar Lauryl acrylate2156-97-0100 % similar Octyl acrylate2499-59-4100 % similar Stearyl acrylate4813-57-4100 % similar Butyl acrylate141-32-286 % similar 1,6-Hexanediol diacrylate13048-33-478 % similar 1,4-Butylene glycol diacrylate1070-70-874 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Gamma-nonalactone104-61-0 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-6 Allyl hexanoate123-68-2 Olean180-84-7 2,6-Dimethyl-3,5-heptanedione18362-64-6 4-Hydroxynonenal29343-52-0 Ethyl cyclohexanecarboxylate3289-28-9 Delta-nonalactone3301-94-8

Elsewhere

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