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Hexanoic acid, 2-ethyl-, 2-mercaptoethyl ester

HCID 106912
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
67859-57-8
Standard SMILES
CCCCC(CC)C(=O)OCCS
InChIKey
GLZUYMAJJWRTGR-UHFFFAOYSA-N
Molecular formula
C10H20O2S
Average molar mass
204.335 g/mol
Monoisotopic mass
204.11840088

Names & identifiers

Preferred name
Hexanoic acid, 2-ethyl-, 2-mercaptoethyl ester
IUPAC
2-Sulfanylethyl 2-ethylhexanoate
English name
2-mercaptoethyl 2-ethylhexanoate
Molecular formula
C10H20O2S
Molecular weight
204.33

Names & synonyms

Einecs 267-404-92-mercaptoethyl 2-ethylhexanoate2-Ethylhexanoic acid 2-mercaptoethyl esterHexanoic acid, 2-ethyl-, 2-mercaptoethyl ester

Database identifiers

CAS
67859-57-8
PubChem CID
106912
DTXSID
DTXSID20886964
UNII
5TNU9SB6FC
EC Number
267-404-9
Nikkaji
J287.532B

Properties

Physicochemical properties

FDA UNII
5 TNU9SB6FC · 5TNU9SB6FC
EPA Substance Registry System
2 · 2-Mercaptoethyl 2-ethylhexanoate (67859-57-8)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Related reactions

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Compound notes

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