CAS
94021-67-7 Purity
96%
94021-67-7 Purity
96%
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3,6,7-Trimethyloct-2-en-1-yl acetate
CAS
94021-80-4
Catalog Number
ACM94021804
Category
Other Products
Molecular Weight
212.328460 [g/mol]
Molecular Formula
C13H24O2
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Specification
Synonyms
3,6,7-Trimethyloct-2-en-1-yl acetate, 94021-80-4, CTK5H4592, AG-H-86186
IUPAC Name
3,6,7-trimethyloct-2-enyl acetate
InChI Key
XWJCHVWVBIZYBI-UHFFFAOYSA-N
Boiling Point
264ºC at 760 mmHg
Flash Point
82.1ºC
Density
0.881g/cm³
Exact Mass
212.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3,6,7-Trimethyloct-2-en-1-yl acetate?
The molecular formula is C13H24O2.
What is the molecular weight of 3,6,7-Trimethyloct-2-en-1-yl acetate?
The molecular weight is 212.33 g/mol.
What is the IUPAC name of 3,6,7-Trimethyloct-2-en-1-yl acetate?
The IUPAC name is [(E)-3,6,7-trimethyloct-2-enyl] acetate.
What is the InChI of 3,6,7-Trimethyloct-2-en-1-yl acetate?
The InChI is InChI=1S/C13H24O2/c1-10(2)12(4)7-6-11(3)8-9-15-13(5)14/h8,10,12H,6-7,9H2,1-5H3/b11-8+.
What is the InChIKey of 3,6,7-Trimethyloct-2-en-1-yl acetate?
The InChIKey is XWJCHVWVBIZYBI-DHZHZOJOSA-N.
What is the canonical SMILES of 3,6,7-Trimethyloct-2-en-1-yl acetate?
The canonical SMILES is CC(C)C(C)CCC(=CCOC(=O)C)C.
What is the isomeric SMILES of 3,6,7-Trimethyloct-2-en-1-yl acetate?
The isomeric SMILES is CC(C)C(C)CC/C(=C/COC(=O)C)/C.
What is the CAS number of 3,6,7-Trimethyloct-2-en-1-yl acetate?
The CAS number is 94021-80-4.
What is the EC number of 3,6,7-Trimethyloct-2-en-1-yl acetate?
The EC number is 301-471-8.
How many rotatable bonds does 3,6,7-Trimethyloct-2-en-1-yl acetate have?
It has 7 rotatable bonds.
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