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Details

Stereochemistry RACEMIC
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5,5-TRIMETHYLHEXYL ACETATE

SMILES

CC(CCOC(C)=O)CC(C)(C)C

InChI

InChIKey=DGKXDLCVQSQVBC-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:32:08 GMT 2023
Edited
by admin
on Sat Dec 16 05:32:08 GMT 2023
Record UNII
9HMD71U17Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5,5-TRIMETHYLHEXYL ACETATE
Systematic Name English
1-HEXANOL, 3,5,5-TRIMETHYL-, ACETATE
Systematic Name English
VANORIS
Brand Name English
1-HEXANOL, 3,5,5-TRIMETHYL-, 1-ACETATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
261-245-9
Created by admin on Sat Dec 16 05:32:08 GMT 2023 , Edited by admin on Sat Dec 16 05:32:08 GMT 2023
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CAS
58430-94-7
Created by admin on Sat Dec 16 05:32:08 GMT 2023 , Edited by admin on Sat Dec 16 05:32:08 GMT 2023
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PUBCHEM
42745
Created by admin on Sat Dec 16 05:32:08 GMT 2023 , Edited by admin on Sat Dec 16 05:32:08 GMT 2023
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EPA CompTox
DTXSID0041270
Created by admin on Sat Dec 16 05:32:08 GMT 2023 , Edited by admin on Sat Dec 16 05:32:08 GMT 2023
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DAILYMED
9HMD71U17Z
Created by admin on Sat Dec 16 05:32:08 GMT 2023 , Edited by admin on Sat Dec 16 05:32:08 GMT 2023
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RXCUI
2395767
Created by admin on Sat Dec 16 05:32:08 GMT 2023 , Edited by admin on Sat Dec 16 05:32:08 GMT 2023
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FDA UNII
9HMD71U17Z
Created by admin on Sat Dec 16 05:32:08 GMT 2023 , Edited by admin on Sat Dec 16 05:32:08 GMT 2023
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