Methyl behenate
Properties
- Molecular formula
- C23H46O2
- Molar mass
- 354.62 g/mol
- Exact mass
- 354.3498 Da
- Melting point
- 54 °C
- Boiling point
- 224–225 °C (at 15 Torr)
- logP
- 7.98Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 20
Hazards
Warning
- H302 Harmful if swallowed11.1% of notifiers
- H312 Harmful in contact with skin11.1% of notifiers
- H315 Causes skin irritation11.1% of notifiers
- H319 Causes serious eye irritation22.2% of notifiers
- H332 Harmful if inhaled11.1% of notifiers
- H335 May cause respiratory irritation11.1% of notifiers
- H413 May cause long lasting harmful effects to aquatic life11.1% of notifiers
Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
929-77-1SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCInChIKey
QSQLTHHMFHEFIY-UHFFFAOYSA-NInChI
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Docosanoic acid, methyl ester
- Methyl docosanoate
- Methyl n-docosanoate
- Behenic acid methyl ester
- Kemester 9022
- Kemester 9027-90
- NSC 158426
Work with Methyl behenate
Similar compounds
Methyl heptanoate106-73-0100 % similar
Methyl decanoate110-42-9100 % similar
Methyl octanoate111-11-5100 % similar
Methyl laurate111-82-0100 % similar
Methyl palmitate112-39-0100 % similar
Methyl stearate112-61-8100 % similar
Methyl eicosanoate1120-28-1100 % similar
Methyl myristate124-10-7100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.