CAS
94021-40-6 Purity
96%
94021-40-6 Purity
96%
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5,5,7-Trimethylocta-3,7-dien-2-one
CAS
94021-45-1
Catalog Number
ACM94021451
Category
Other Products
Molecular Weight
166.260020 [g/mol]
Molecular Formula
C11H18O
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Specification
Synonyms
EINECS 301-440-9, CID6366364, 5,5,7-Trimethylocta-3,7-dien-2-one, 94021-45-1
IUPAC Name
(3E)-5,5,7-trimethylocta-3,7-dien-2-one
InChI Key
UXHQEWRXRXZPBE-VOTSOKGWSA-N
Boiling Point
237.4ºC at 760mmHg
Flash Point
94.8ºC
Density
0.849g/cm³
Exact Mass
166.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 5,5,7-Trimethylocta-3,7-dien-2-one?
The molecular formula is C11H18O.
What is the molecular weight of 5,5,7-Trimethylocta-3,7-dien-2-one?
The molecular weight is 166.26 g/mol.
What is the IUPAC name of 5,5,7-Trimethylocta-3,7-dien-2-one?
The IUPAC name is (3E)-5,5,7-trimethylocta-3,7-dien-2-one.
What is the InChI of 5,5,7-Trimethylocta-3,7-dien-2-one?
The InChI is InChI=1S/C11H18O/c1-9(2)8-11(4,5)7-6-10(3)12/h6-7H,1,8H2,2-5H3/b7-6+.
What is the InChIKey of 5,5,7-Trimethylocta-3,7-dien-2-one?
The InChIKey is UXHQEWRXRXZPBE-VOTSOKGWSA-N.
What is the canonical SMILES of 5,5,7-Trimethylocta-3,7-dien-2-one?
The canonical SMILES is CC(=C)CC(C)(C)C=CC(=O)C.
What is the isomeric SMILES of 5,5,7-Trimethylocta-3,7-dien-2-one?
The isomeric SMILES is CC(=C)CC(C)(C)/C=C/C(=O)C.
What is the CAS number of 5,5,7-Trimethylocta-3,7-dien-2-one?
The CAS number is 94021-45-1.
What is the European Community (EC) number of 5,5,7-Trimethylocta-3,7-dien-2-one?
The EC number is 301-440-9.
What is the XLogP3-AA value of 5,5,7-Trimethylocta-3,7-dien-2-one?
The XLogP3-AA value is 3.3.
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