2-(4-Tert-butylphenyl)acetaldehyde

HCID 595340CAS 109347-45-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)c1ccc(CC=O)cc1
InChIKey
VMLYBYNXKMHLIJ-UHFFFAOYSA-N
Molecular formula
C12H16O
Average molar mass
176.25 g/mol
Monoisotopic mass
176.12011513

Names & identifiers

Preferred name
2-(4-Tert-butylphenyl)acetaldehyde
IUPAC
2-(4-tert-butylphenyl)acetaldehyde
English name
2-(4-TERT-BUTYLPHENYL)ACETALDEHYDE
Molecular formula
C12H16O
Molecular weight
176.25

Names & synonyms

2-(4-tert-butylphenyl)acetaldehyde109347-45-7DTXSID70344246RefChem:252834DTXCID30295321(4-tert-Butylphenyl)acetaldehydeMFCD087033772-(4-(tert-butyl)phenyl)acetaldehyde2-[4-(tert-Butyl)phenyl]acetaldehydeSCHEMBL3639494SCHEMBL6483875(4-tert-Butylphenyl)acetaldehyde #
Show more names
JEA34745AKOS0118971274-(1,1-Dimethylethyl)benzeneacetaldehydeBenzeneethanal, 4-[1,1-dimethylethyl]-SY165241CS-0237842NS00095827Benzeneacetaldehyde, 4-(1,1-dimethylethyl)-

Database identifiers

CAS
109347-45-7
PubChem CID
595340
DTXSID
DTXSID70344246
Nikkaji
J560.033B

Properties

Computed structural properties

XLogP
3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Boiling point
87 °C · 87 °C(Press: 3 Torr)
Density
0.946 · 0.946±0.06 g/cm3(Predicted)
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

Upstream & downstream products

Downstream products

Suppliers12 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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