Basic information
- Standard SMILES
C[13CH]=O- InChIKey
IKHGUXGNUITLKF-VQEHIDDOSA-N- Molecular formula
- C2H4O
- Average molar mass
- 45.045 g/mol
Names & identifiers
- Preferred name
- Acetaldehyde-13C
- IUPAC
- acetaldehyde
- English name
- Acetaldehyde-13C
- Molecular formula
- C2H4O
- Molecular weight
- 44.05256
Names & synonyms
Acetaldehyde-13C2188-31-0C2H4O(1-13C)-AcetaldehydSCHEMBL1331732SCHEMBL2552774MFCD00143528Acetaldehyde-1-13C, 99 atom % 13C[13C]-Acetaldehyde-AcetaldehydAcetaldehyde-1-13C
Database identifiers
- CAS
2188-31-0
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 10.3
Physicochemical properties
- Melting point
- -125 °C · -125 °C (lit.)
- Boiling point
- 21 °C · 21 °C (lit.)
- Density
- 0.803 g/mL · 0.803 g/mL at 25 °C
- storage temp.
- -20 °C · -20°C
- solubility
- soluble in Chloroform
- form
- Liquid
- color
- Clear Colourless
- Stability
- Very Volatile
- InChI
- 1S/C2H4O/c1-2-3/h2H,1H3/i2+1
- InChIKey
- IKHGUXGNUITLKF-VQEHIDDOSA-N
- SMILES
- [H][13C](C)=O
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 12 · NA.12
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 224 · H224-H319-H335-H341-H350
- Precautionary statements
- 201 · P201-P210-P233-P305+P351+P338-P308+P313-P403+P233
- target organs
- Respiratory system
- WGK Germany
- 3 · WGK 3
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 BEye · Carc. 1BEye Irrit. 2Flam. Liq. 1Muta. 2STOT SE 3
Safety & regulation
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H224-H319-H335-H341-H350
- Hazard Classifications
- Carc. 1BEye Irrit. 2Flam. Liq. 1Muta. 2STOT SE 3
- Precautionary statements
- P201-P210-P233-P305+P351+P338-P308+P313-P403+P233
Chemistry & industry
Applications
UsesIsotope labelled analogue of Acetaldehyde (A132600), a general solvent in organic and polymer chemical reactions. Acetaldehyde has also played a role in fruit and food quality, ripening and deterioration.
Upstream & downstream products
Downstream products
Suppliers8 total
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
上海陶素生化科技有限公司021-33632979 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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