Basic information
- CAS
67468-54-6- Standard SMILES
CCC(C)(C)c1ccc(C=O)cc1- InChIKey
CFMSVJPRGKKHRS-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 4-(2-Methylbutan-2-yl)benzaldehyde
- IUPAC
- 4-(2-methylbutan-2-yl)benzaldehyde
- English name
- 4-tert-Amylbenzaldehyde
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
67468-54-64-(2-methylbutan-2-yl)benzaldehydeDTXSID20332976RefChem:287321DTXCID802840684-(TERT-PENTYL)BENZALDEHYDE4-tert-Pentylbenzaldehyde4-(1,1-dimethylpropyl)benzaldehyde4-(1,1-Dimethylpropyl)-benzaldehydeMFCD00192382p-tert.amyl-benzaldehydeSCHEMBL846398
Show more names
4-tert-AmylbenzaldehydeP-tert,-amylbenzaldehydeBenzaldehyde,4-(1,1-dimethylpropyl)-
CFMSVJPRGKKHRS-UHFFFAOYSA-N4-TERT-PENTYL-BENZALDEHYDEAKOS014320887CS-W000559AS-30508F386332
Database identifiers
- CAS
67468-54-6- PubChem CID
- 473780
- DTXSID
DTXSID20332976- Nikkaji
- J1.074.311G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 259 · 259 ºC
- Density
- 0.956 · 0.956
- Flash point
- 104 · 104 ºC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
北京阳光福润科技有限公司010-57495520 13521095525 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
扬州千行化学科技有限公司18051976595
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
上海传芊化工科技中心
Related reactions
11 records
Compound notes
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