Basic information
- CAS
49763-69-1- Standard SMILES
CCCCCCc1ccc(C=O)cc1- InChIKey
KRNAJRBXIMJEFF-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.1357652
Names & identifiers
- Preferred name
- Benzaldehyde, 4-hexyl-
- IUPAC
- 4-hexylbenzaldehyde
- English name
- 4-n-Hexylbenzaldehyde
- Molecular formula
- C13H18O
- Molecular weight
- 190.28
Names & synonyms
49763-69-1Benzaldehyde, 4-hexyl-EINECS 256-479-3DTXSID5068522RefChem:561372DTXCID70407384-hexylbenzaldehyde4-N-HEXYLBENZALDEHYDEp-HexylbenzaldehydeMFCD00041871parahexylbenzaldehydep-n-hexylbenzaldehyde
Show more names
p-Hexylbenzaldehyde, jSCHEMBL1884477SCHEMBL2119883BDBM85655SBB059138AKOS023873983DB-051690NS00031965
Database identifiers
- CAS
49763-69-1- PubChem CID
- 170813
- DTXSID
DTXSID5068522- EC Number
- 256-479-3
- Nikkaji
- J30.751C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- -27 °C · -27 °C
- Boiling point
- 118 · 118-119 °C(Press: 3 Torr)
- Density
- 0.951 · 0.951±0.06 g/cm3(Predicted)
- LogP
- 4.446 · 4.446 (est)
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-hexyl- (49763-69-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-hexyl-: INACTIVE
Suppliers8 total
珠海奥博凯生物医药技术有限公司400-0628126
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
10 records
Compound notes
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