Basic information
- CAS
598-35-6- Standard SMILES
CC(O)C=O- InChIKey
BSABBBMNWQWLLU-UHFFFAOYSA-N- Molecular formula
- C3H6O2
- Average molar mass
- 74.08 g/mol
- Monoisotopic mass
- 74.03677943
Overview
Lactaldehyde is a member of the class of propanals obtained by the reduction of the carboxylic group of lactic acid (2-hydroxypropanoic acid). It has a role as a mouse metabolite. It is a member of propanals and a hydroxyaldehyde.
Names & identifiers
- Preferred name
- Lactaldehyde
- IUPAC
- 2-hydroxypropanal
- English name
- Propanal, 2-hydroxy-
- Molecular formula
- C3H6O2
- Molecular weight
- 74.08
Names & synonyms
2-Hydroxypropanallactaldehyde598-35-6DL-lactaldehyde2-HydroxypropionaldehydePropanal, 2-hydroxy-S468FB0QE4CHEBI:18419DTXSID60862267RefChem:152038DTXCID20811059BS76EN9C35
Show more names
DL-Lactaldehyde solutionPropanal, 2-hydroxy- (9CI)2-Hydroxypropanal solutionL-2-Hydroxypropionaldehyde2-Hydroxypropionaldehyde solutionDL-Lactaldehyde solutionDL-Lactaldehyde solution ~1 M in H2O
Racemic-glycerol formal(+-)-2-HydroxypropanallactaldAlpha-hydroxypropionaldehydePropanal, 2-hydroxy-, (+-)-HYDROXYPROPANALPropanal, 2-hydroxyLACTALDEHYDE, DL-
Database identifiers
- CAS
598-35-6- PubChem CID
- 855
- DTXSID
DTXSID60862267- ChEBI
CHEBI:18419- UNII
- S468FB0QE4
- EC Number
- 809-415-9
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 33.9
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 121.9 · 121.9±23.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 13.41 · 13.41±0.20(Predicted)
- BRN
- 1719827 · 1719827
- InChI
- 1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3
- InChIKey
- BSABBBMNWQWLLU-UHFFFAOYSA-N
- SMILES
- [H]C(C(O)C)=O
- LogP
- -1.25 · -1.250 (est)
- FDA UNII
- 468 FB0QE4 · S468FB0QE4
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 305 · P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPropanal, 2-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesLactaldehyde-13C3 is derived from Propanoic-13C3 Acid (P786364), which is labelled Propionic Acid (P786360), used in the synthesis of novel inhibitors of signal transducer and activator of transcription 3 signaling pathway in the potential treatment of human cancers. In addition it is used in the synthesis of morphans.
Suppliers6 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Additional notes
DefinitionChEBI: Lactaldehyde is a member of the class of propanals obtained by the reduction of the carboxylic group of lactic acid (2-hydroxypropanoic acid). It has a role as a mouse metabolite. It is a hydroxyaldehyde and a member of propanals.
Related reactions
2 records
Compound notes
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