3,7-Dimethyloctyl benzeneacetate

CAS Registry Number®

67874-77-5
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CAS Name

3,7-Dimethyloctyl benzeneacetate

Molecular Formula

C18H28O2

Molecular Mass

276.41

Cite this Page

3,7-Dimethyloctyl benzeneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=67874-77-5 (retrieved 2024-04-18) (CAS RN: 67874-77-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H28O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3

InChIKey

InChIKey=ZLNHKBABSKKKMS-UHFFFAOYSA-N

SMILES

C(C(OCCC(CCCC(C)C)C)=O)C1=CC=CC=C1

Canonical SMILES

O=C(OCCC(C)CCCC(C)C)CC=1C=CC=CC1

Other Names for this Substance

  • Benzeneacetic acid, 3,7-dimethyloctyl ester
  • 3,7-Dimethyloctyl benzeneacetate

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