CAS
94135-47-4 Purity
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94135-47-4 Purity
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3-(p-Cumenyl)-2-octylpropionaldehyde
CAS
94135-57-6
Catalog Number
ACM94135576
Category
Other Products
Molecular Weight
288.467480 [g/mol]
Molecular Formula
C20H32O
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Specification
Synonyms
EINECS 302-926-3, 3-(p-Cumenyl)-2-octylpropionaldehyde, CID6366460, 94135-57-6
IUPAC Name
2-[(4-propan-2-ylphenyl)methyl]decanal
Canonical SMILES
CCCCCCCCC(CC1=CC=C(C=C1)C(C)C)C=O
InChI Key
OITFAOHCTDPSPO-UHFFFAOYSA-N
Boiling Point
380.9ºC at 760 mmHg
Flash Point
174.7ºC
Density
0.905g/cm³
EC Number
302-926-3
Exact Mass
288.24500
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula is C20H32O.
What is the molecular weight of the compound?
The molecular weight is 288.5 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-[(4-propan-2-ylphenyl)methyl]decanal.
What is the InChI of the compound?
The InChI is InChI=1S/C20H32O/c1-4-5-6-7-8-9-10-19(16-21)15-18-11-13-20(14-12-18)17(2)3/h11-14,16-17,19H,4-10,15H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey is OITFAOHCTDPSPO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCCCCCCCC(CC1=CC=C(C=C1)C(C)C)C=O.
What is the CAS number of the compound?
The CAS number is 94135-57-6.
What is the EC number of the compound?
The EC number is 302-926-3.
What is the DSSTox Substance ID of the compound?
The DSSTox Substance ID is DTXSID50916324.
Is the compound structurally complex?
Yes, the compound has a complexity value of 251.
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