CAS
93805-15-3 Purity
96%
93805-15-3 Purity
96%
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3,7-Dimethyl-6-octenyl phenoxyacetate
CAS
93805-22-2
Catalog Number
ACM93805222
Category
Other Products
Molecular Weight
290.397240 [g/mol]
Molecular Formula
C18H26O3
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Specification
Synonyms
EINECS 298-505-6, 3,7-Dimethyl-6-octenyl phenoxyacetate, 93805-22-2
IUPAC Name
3,7-dimethyloct-6-enyl 2-phenoxyacetate
Canonical SMILES
CC(CCC=C(C)C)CCOC(=O)COC1=CC=CC=C1
InChI Key
OCXSQRQMLDBSSJ-UHFFFAOYSA-N
Boiling Point
400.5ºC at 760mmHg
Flash Point
169.4ºC
Density
0.995g/cm³
EC Number
298-505-6
Exact Mass
290.18800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound 3,7-Dimethyl-6-octenyl phenoxyacetate?
The molecular formula is C18H26O3.
When was the compound created and last modified on PubChem?
The compound was created on July 11, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 3,7-Dimethyl-6-octenyl phenoxyacetate?
The IUPAC name is 3,7-dimethyloct-6-enyl 2-phenoxyacetate.
What is the InChI code for 3,7-Dimethyl-6-octenyl phenoxyacetate?
The InChI code is InChI=1S/C18H26O3/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-21-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3.
How many hydrogen bond acceptors does the compound have?
The compound has 3 hydrogen bond acceptors.
What is the molecular weight of 3,7-Dimethyl-6-octenyl phenoxyacetate?
The molecular weight is 290.4 g/mol.
How many rotatable bond counts are there in the compound?
There are 10 rotatable bonds in the compound.
What is the exact mass of 3,7-Dimethyl-6-octenyl phenoxyacetate?
The exact mass is 290.18819469 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 35.5 Å2.
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