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Benzeneacetic acid, 3,7-dimethyloctyl ester

HCID 106936
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Basic information

CAS
67874-77-5
Standard SMILES
CC(C)CCCC(C)CCOC(=O)Cc1ccccc1
InChIKey
ZLNHKBABSKKKMS-UHFFFAOYSA-N
Molecular formula
C18H28O2
Average molar mass
276.42 g/mol
Monoisotopic mass
276.20893014

Names & identifiers

Preferred name
Benzeneacetic acid, 3,7-dimethyloctyl ester
IUPAC
3,7-Dimethyloctyl phenylacetate
English name
3,7-dimethyloctyl phenylacetate
Molecular formula
C18H28O2
Molecular weight
276.41

Names & synonyms

Einecs 267-505-8dimethyl octanyl phenyl acetate3,7-dimethyloctyl phenylacetate3,7-Dimethyloctanyl phenylacetateBenzeneacetic acid 3,7-dimethyloctyl ester

Database identifiers

CAS
67874-77-5
PubChem CID
106936
DTXSID
DTXSID50886992
EC Number
267-505-8
Nikkaji
J287.590J

Properties

Physicochemical properties

Odor
100 % · at 100.00 %. rose de mai
Odor Type
floral
LogP
6.184 · 6.184 (est)
EPA Substance Registry System
3 · Benzeneacetic acid, 3,7-dimethyloctyl ester (67874-77-5)
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

Chemistry & industry

Applications

Uses3,7-Dimethyloctyl phenylacetate is occasionally used in flavor compositions of the fruity type, where its waxy-honey-like sweetness blends well into fruit-peel type flavors.

Suppliers1 total

上海问彩新材料科技有限公司15721586846 · [email protected]

Related reactions

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Compound notes

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