Basic information
- CAS
78999-24-3- Standard SMILES
O=CCCCCOCc1ccccc1- InChIKey
KDNUJAZVJXKPNI-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 5-(Benzyloxy)pentanal
- IUPAC
- 5-phenylmethoxypentanal
- English name
- 5-Benzyloxy-penta
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
5-(BENZYLOXY)PENTANAL78999-24-3DTXSID70453822RefChem:300244DTXCID604046415-phenylmethoxypentanal5-BenzyloxypentanalMFCD09831904Pentanal, 5-(phenylmethoxy)-5-Benzyloxy-pentanal5-(benzyloxy) pentanal7-phenyl-6-oxaheptanal
Show more names
5-Benzyloxy-penta
7-phenyl-6-oxaheptan-1-alSCHEMBL713499SCHEMBL787055SCHEMBL15670484KDNUJAZVJXKPNI-UHFFFAOYSA-NDDA99924AKOS006326633AB10127
Database identifiers
- CAS
78999-24-3- PubChem CID
- 11063258
- DTXSID
DTXSID70453822- Nikkaji
- J962.888F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
5 records
Compound notes
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