CAS
93803-42-0 Purity
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93803-42-0 Purity
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2-Ethylhexyl[(2-butoxy-2-oxoethyl)thio]acetate
CAS
93803-45-3
Catalog Number
ACM93803453
Category
Other Products
Molecular Weight
318.472000 [g/mol]
Molecular Formula
C16H30O4S
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Specification
Synonyms
EINECS 298-316-9, CID3022402, 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate, 93803-45-3
IUPAC Name
butyl 2-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylacetate
Canonical SMILES
CCCCC(CC)COC(=O)CSCC(=O)OCCCC
InChI Key
ICKUQBKYPDFCFJ-UHFFFAOYSA-N
Boiling Point
386.2ºC at 760mmHg
Flash Point
169.1ºC
Density
1.014g/cm³
EC Number
298-316-9
Exact Mass
318.18600
H-Bond Acceptor
4
H-Bond Donor
0
What is the PubChem CID for 2-Ethylhexyl[(2-butoxy-2-oxoethyl)thio]acetate?
PubChem CID 3022402
What is the molecular formula of 2-Ethylhexyl[(2-butoxy-2-oxoethyl)thio]acetate?
C16H30O4S
What is the molecular weight of 2-Ethylhexyl[(2-butoxy-2-oxoethyl)thio]acetate?
318.5 g/mol
What is the IUPAC name of the compound?
Butyl 2-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylacetate
What is the InChIKey of 2-Ethylhexyl[(2-butoxy-2-oxoethyl)thio]acetate?
ICKUQBKYPDFCFJ-UHFFFAOYSA-N
What is the canonical SMILES representation of the compound?
CCCCC(CC)COC(=O)CSCC(=O)OCCCC
What is the CAS number for 2-Ethylhexyl[(2-butoxy-2-oxoethyl)thio]acetate?
93803-45-3
How many hydrogen bond acceptor counts does the compound have?
5
What is the topological polar surface area of the compound?
77.9 Ų
Is the compound canonicalized?
Yes
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