Butoxyacetic acid
Properties
- Molecular formula
- C6H12O3
- Molar mass
- 132.16 g/mol
- Exact mass
- 132.0786 Da
- Density
- 0.9897 g/mL (at 15 °C)
- Boiling point
- 165.2–165.4 °C
- logP
- 0.89Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 5
Hazards
Danger
- H290 May be corrosive to metals87% of notifiers
- H314 Causes severe skin burns and eye damage91.3% of notifiers
- H318 Causes serious eye damage10.9% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501
Identifiers
CAS number
2516-93-0SMILES
CCCCOCC(=O)OInChIKey
AJQOASGWDCBKCJ-UHFFFAOYSA-NInChI
InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Acetic acid, 2-butoxy-
- 2-Butoxyacetic acid
- NSC 10980
- Butyloxyacetic acid
- 2-(n-Butoxy)acetic acid
- Acetic acid, butoxy-
Work with Butoxyacetic acid
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
Polyethylene glycol carboxymethyl lauryl ether sodium salt33939-64-979 % similar
2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-764 % similar
Polyethylene glycol bis(carboxymethyl) ether39927-08-764 % similar
3,6,9-Trioxaundecanedioic acid13887-98-462 % similar
Ethoxyacetic acid627-03-257 % similar
(2-Methoxyethoxy)acetic acid16024-56-957 % similar
Diglycolic acid110-99-656 % similar
(2-(2-Methoxyethoxy)ethoxy)acetic acid16024-58-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds