
无数据
无数据
无数据
| CAS Number | 80-54-6 |
| Catalog Number | AG008MB3(AGN-PC-0UHANW) |
| Chemical Name | Benzenepropanal, 4-(1,1-dimethylethyl)-α-methyl- |
| EC Number | 201-289-8 |
| IUPAC Name | 3-(4-tert-butylphenyl)-2-methylpropanal |
| InChI | InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3 |
| InChI Key | SDQFDHOLCGWZPU-UHFFFAOYSA-N |
| MDL Number | MFCD00047655 |
| Molecular Formula | C14H20O |
| Molecular Weight | 204.3080 |
| NSC Number | 22275 |
| SMILES | C(C)(C)(C)c1ccc(cc1)CC(C=O)C |
| Synonyms | 4-tert-butyl-alpha-methylhydrocinnamaldehyde,
lilial,
lily aldehyde,
80-54-6,
Lilial,
3-(4-(tert-Butyl)phenyl)-2-methylpropanal,
3-(4-tert-Butylphenyl)isobutyraldehyde,
Lilyal,
lily aldehyde,
3-(4-tert-Butylphenyl)-2-methylpropanal,
3-(4-tert-Butylphenyl)-2-methylpropionaldehyde,
Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-,
NSC 22275,
2-(4-tert-Butylbenzyl)propionaldehyde,
SDQFDHOLCGWZPU-UHFFFAOYSA-N,
3-(4-tert-butylphenyl)-2-methyl-propanal,
beta-3-(4-tert-Butylphenyl)isobutyraldehyde,
DSSTox_CID_6500,
p-tert-Butyl-.alpha.-methylhydrocinnamaldehyde,
.alpha.-Methyl-p-(tert-butyl)hydrocinnamaldehyde,
DSSTox_RID_78125,
DSSTox_GSID_26500,
Hydrocinnamaldehyde, p-tert-butyl-.alpha.-methyl-,
p-tert-Butyl-.alpha.-methylhydrocinnamic aldehyde,
Propanal, .alpha.-methyl-.beta.-(p-tert.-butylphenyl)-,
.alpha.-Methyl, .beta.-(p-tert-butylphenyl)propionaldehyde,
Lilialdehyde,
Lilyaldehyde,
Propionaldehyde, .beta.-(4-tert-butylphenyl)-.alpha.-methyl-,
CAS-80-54-6,
3-[4-(tert-butyl)phenyl]-2-methylpropanal,
Butylphenyl methylpropional,
Benzenepropanal, 4-[1,1-dimethylethyl]-.alpha.-methyl-,
liliale,
2-(4-tert-Butylbenzyl)propionaldehyde, analytical standard,
Lilestralis,
Lillial,
4-tert-butyl-alpha-methylhydrocinnamaldehyde,
Aldehyde MBDC,
MFCD00047655,
NCGC00091024-01,
ACMC-209pjo,
Protectol PP (Lilial),
AC1L5GMT,
AC1Q1QYX,
EC 201-289-8,
SCHEMBL81866,
4-07-00-00802 (Beilstein Handbook Reference),
methyl butyldihydrocinnamaldehyde,
CHEMBL1496715,
DTXSID9026500,
CTK8B2342,
KS-00000NAX,
NSC22275,
Tox21_201412,
Tox21_303107,
ANW-37378,
NSC-22275,
STK709232,
WLN: VHY1&1R DX1&1&1,
AKOS005522624,
p-tert-Butyl-|A-methylhydrocinnamaldeh,
4-tert-Butyl-|A-methyl-benzenepropanal,
MCULE-9225317698,
RP26100,
RTR-031277,
2-[(4-tert-Butylphenyl)methyl]propanal,
NCGC00091024-02,
NCGC00091024-03,
NCGC00257026-01,
NCGC00258963-01,
p-t-Butyl-alpha-methylhydrocinnamaldehyde,
AN-24028,
DS-17933,
S657,
SC-74649,
2-methyl-3-(4-tert-butylphenyl) propanal,
2-methyl-3-(4-tert-butylphenyl)-propanal,
3-(p-tert.-butylphenyl)-2-methylpropanal,
4-tert-Butyl-|A-methyl-hydrocinnamaldehyde,
p-t-Butyl-.alpha.-methylhydrocinnamaldehyde,
ST4142856,
TR-031277,
3-(4-t-butylphenyl)-2-methylpropionaldehyde,
3-(4-tert-Butylphenyl)-2-methylpropanal #,
B1145,
FT-0619488,
p-tert.butyl-alpha-methyl-hydrocinnamaldehyde,
ST24041450,
4-tert-Butyl-alpha-methyldihydrocinnamaldehyde,
Benzenepropanal, 4-(tert-butyl)-alpha-methyl-,
Benzenepropanal, 4-tert-butyl-.alpha.-methyl-,
X-2147,
3-(p-tert.butylphenyl)-2-methyl-propionaldehyde,
Benzenepropanal,1-dimethylethyl)-.alpha.-methyl-,
3-(4-tert-butyl-phenyl)-2-methyl-propionaldehyde,
3-(p-tert.butyl-phenyl)-2-methyl-propionaldehyde,
4-tert-butyl-.alpha.-methyl hydrocinnamic aldehyde,
A839940,
3-(p-tert.-butyl-phenyl)-2-methyl-propionaldehyde,
I14-8028,
Q-201305,
2-(4-tert-Butylbenzyl)propionaldehydeanalytical standard,
UNII-T7540GJV69,
C14H20O,
EINECS 201-289-8,
T7540GJV69,
BRN 0880140,
Butylphenyl methylpropional (BMHCA),
C14-H20-O,
CID228987,
2-(4-tert-butylbenzyl)propionaldehyd,
AI3-36196,
p-tert-Butyl-alpha-methylhydrocinnamaldehyde,
alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde,
3-(4-(tert-Butyl)phenyl)-2-methylpropal,
p-tert-Butyl-alpha-methylhydrocinnamic aldehyde,
Propionaldehyde, 2-(4-tert-Butylbenzyl)-,
p-t-butyl-alpha-methylhydrocinnamic aldehyde,
p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde,
2 - (4 - tert - butylbenzyl)propionaldehyde,
alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde,
Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-,
C038018,
Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-,
Benzenepropanal, 4-(1,1-dimethylethyl)-?-methyl-,
HYDROCINNAMALDEHYDE, p-tert-BUTYL-alpha-METHYL-,
Benzenopropanal, 4-(1,1-dimetiletil)-. alpha.-metil-,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.313g/mol |
| Monoisotopic Mass | 204.151g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
| Symbol: | |
| Hazard Class | 9 |
| Hazard statements | H302-H315-H317-H361-H411 |
| Packing Group | Ⅲ |
| Precautionary statements | P201-P273-P280-P308+P313-P333+P313-P391-P264-P270-P301+P312+P330-P302+P352+P332+P313+P362+P364-P501 |
| UN Code | UN 3082 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

