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Details

Stereochemistry RACEMIC
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-DIMETHYL-3-HEXYL ACETATE

SMILES

CC(C)CC(OC(C)=O)C(C)C

InChI

InChIKey=HFVPVZQUSNUHCQ-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-7(2)6-10(8(3)4)12-9(5)11/h7-8,10H,6H2,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2,5-DIMETHYL-3-HEXYL ACETATE
Systematic Name English
3-ACETOXY-2,5-DIMETHYL-HEXANE
Common Name English
3-HEXANOL, 2,5-DIMETHYL-, ACETATE
Common Name English
3-HEXANOL, 2,5-DIMETHYL-, 3-ACETATE
Systematic Name English
2,5-DIMETHYLHEXAN-3-YL ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
9YCB5H93KC
Created by admin on Sat Dec 16 19:04:34 GMT 2023 , Edited by admin on Sat Dec 16 19:04:34 GMT 2023
PRIMARY
CAS
91008-85-4
Created by admin on Sat Dec 16 19:04:34 GMT 2023 , Edited by admin on Sat Dec 16 19:04:34 GMT 2023
PRIMARY
PUBCHEM
537590
Created by admin on Sat Dec 16 19:04:34 GMT 2023 , Edited by admin on Sat Dec 16 19:04:34 GMT 2023
PRIMARY
NIH
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