Allyl heptanoate
Properties
- Molecular formula
- C10H18O2
- Molar mass
- 170.25 g/mol
- Exact mass
- 170.1307 Da
- Density
- 0.88–0.885 g/mL
- Boiling point
- 209–210 °C
- logP
- 2.69Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 7
Hazards
Danger
- H301 Toxic if swallowed14.6% of notifiers
- H302+H312 Harmful if swallowed or in contact with skin17.1% of notifiers
- H302 Harmful if swallowed85.4% of notifiers
- H311 Toxic in contact with skin79.9% of notifiers
- H312 Harmful in contact with skin20% of notifiers
- H315 Causes skin irritation62.5% of notifiers
- H319 Causes serious eye irritation74.7% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure53.7% of notifiers
- H400 Very toxic to aquatic life58.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects69.1% of notifiers
- H412 Harmful to aquatic life with long lasting effects15% of notifiers
Aggregated from 2,608 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P405, P501
Identifiers
CAS number
142-19-8SMILES
C=CCOC(=O)CCCCCCInChIKey
SJWKGDGUQTWDRV-UHFFFAOYSA-NInChI
InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Heptanoic acid, 2-propen-1-yl ester
- Heptanoic acid, allyl ester
- Heptanoic acid, 2-propenyl ester
- Allyl enanthate
- Allyl heptoate
- Allyl heptylate
- 2-Propenyl heptanoate
- NSC 20969
Work with Allyl heptanoate
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
Allyl hexanoate123-68-297 % similar
1,6-Di-2-propen-1-yl hexanedioate2998-04-176 % similar
Allyl butyrate2051-78-774 % similar
Glycol distearate627-83-863 % similar
(E)-2-Hexenyl hexanoate53398-86-061 % similar
Butyl laurate106-18-361 % similar
Ethyl heptanoate106-30-961 % similar
Ethyl octanoate106-32-161 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds