CAS
93776-87-5 Purity
96%
93776-87-5 Purity
96%
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2-Phenylethyl 2-ethylhexanoate
CAS
93776-92-2
Catalog Number
ACM93776922
Category
Other Products
Molecular Weight
248.360560 [g/mol]
Molecular Formula
C16H24O2
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Specification
Synonyms
2-Phenylethyl 2-ethylhexanoate, EINECS 298-019-4, CID3022280, 93776-92-2
IUPAC Name
phenethyl 2-ethylhexanoate
Canonical SMILES
CCCCC(CC)C(=O)OCCC1=CC=CC=C1
InChI Key
DLUUSIFAGWCEES-UHFFFAOYSA-N
Boiling Point
332.3ºC at 760mmHg
Flash Point
111.4ºC
Density
0.962g/cm³
EC Number
298-019-4
Exact Mass
248.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Phenylethyl 2-ethylhexanoate?
The molecular formula of 2-Phenylethyl 2-ethylhexanoate is C16H24O2.
When was 2-Phenylethyl 2-ethylhexanoate created in PubChem?
2-Phenylethyl 2-ethylhexanoate was created in PubChem on August 8, 2005.
What is the molecular weight of 2-Phenylethyl 2-ethylhexanoate?
The molecular weight of 2-Phenylethyl 2-ethylhexanoate is 248.36 g/mol.
How many hydrogen bond donor counts does 2-Phenylethyl 2-ethylhexanoate have?
2-Phenylethyl 2-ethylhexanoate does not have any hydrogen bond donor counts.
What is the exact mass of 2-Phenylethyl 2-ethylhexanoate?
The exact mass of 2-Phenylethyl 2-ethylhexanoate is 248.177630004 g/mol.
How many rotatable bond counts does 2-Phenylethyl 2-ethylhexanoate have?
2-Phenylethyl 2-ethylhexanoate has 9 rotatable bond counts.
Is 2-Phenylethyl 2-ethylhexanoate a canonicalized compound?
Yes, 2-Phenylethyl 2-ethylhexanoate is a canonicalized compound.
What is the topological polar surface area of 2-Phenylethyl 2-ethylhexanoate?
The topological polar surface area of 2-Phenylethyl 2-ethylhexanoate is 26.3 Ų.
How many defined atom stereocenter counts does 2-Phenylethyl 2-ethylhexanoate have?
2-Phenylethyl 2-ethylhexanoate does not have any defined atom stereocenter counts.
What is the InChIKey of 2-Phenylethyl 2-ethylhexanoate?
The InChIKey of 2-Phenylethyl 2-ethylhexanoate is DLUUSIFAGWCEES-UHFFFAOYSA-N.
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