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Home › Product Catalog › 3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE

3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE

CAS 139-70-8C18H26O2MW 274.4

3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE (CAS 139-70-8) — formula C18H26O2, molecular weight 274.4; category organic chemicals.

Specifications

CAS Number139-70-8
Molecular FormulaC18H26O2
Molecular Weight274.4
Boiling Point342.00 °C. @ 760.00 mm Hg
LogP5.4
CategoryOrganic Chemicals

Purchase Profile

What this product is

3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE is a carbon-based organic compound with CAS registry number 139-70-8 and molecular formula C18H26O2 (molecular weight 274.4), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 139-70-8

Its molecular formula C18H26O2 comprises 18 C, 26 H, 2 O atoms.

Also known as: 3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE · citronellyl phenylacetate

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE?

The CAS registry number of 3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE is 139-70-8.

What is the molecular formula and molecular weight of 3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE?

Molecular formula C18H26O2, molecular weight 274.4.

What other names is 3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE known by?

It is also registered under: 3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE, citronellyl phenylacetate.

Which category does 3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE (CAS 139-70-8), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary100% (91 / 91)

This chemical does not meet GHS hazard criteria for 100% (91 of 91) of all reports.

Reported as not meeting GHS hazard criteria by 91 of 91 companies. For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Floral
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary100% (91 / 91)

Physical description and handling notes

  • Colourless, somewhat viscous liquid; sweet-herbaceous-rosy, yet heavy and very tenacious odour, reminiscent of the petals of roses
  • Insoluble in water; soluble in oils
  • Miscible at room temperature (in ethanol)

Reported physical properties

沸点342.00 °C. @ 760.00 mm Hg
沸点342 °C
密度0.958-0.960
折射率1.492-1.510

How this substance is indexed

CAS Registry Number139-70-8
PubChem CID8767
分子式C18H26O2
IUPAC 名称3,7-dimethyloct-6-enyl 2-phenylacetate
UNII(FDA)HH43UJ4D76
FEMA 编号2315
JECFA 编号1021

Documented uses

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • Benzeneacetic acid, 3,7-dimethyl-6-octen-1-yl ester: ACTIVE

Names this substance appears under

Citronellyl phenylacetate; 139-70-8; Citronellyl alpha-toluate; FEMA No. 2315; Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester; 3,7-Dimethyl-6-octen-1-yl phenylacetate; 3,7-DIMETHYLOCT-6-EN-1-YL 2-PHENYLACETATE; 3,7-Dimethyl-6-octenyl benzeneacetate; Benzeneacetic acid, 3,7-dimethyl-6-octen-1-yl ester; EINECS 205-373-5; UNII-HH43UJ4D76; ACETIC ACID, PHENYL-, 3,7-DIMETHYL-6-OCTENYL ESTER; HH43UJ4D76; PHENYLACETIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER; DTXSID90861804; CITRONELLYL .ALPHA.-TOLUATE

Computed molecular descriptors

分子量274.4
XLogP35.4
氢键供体数0
氢键受体数2
可旋转键数9
精确质量274.193280068
单同位素质量274.193280068
拓扑极性表面积26.3
重原子数20
形式电荷0

Database abstract

3,7-DIMETHYL-6-OCTEN-1-YL PHENYLACETATE · CAS 139-70-8 · C18H26O2. UNII HH43UJ4D76. 沸点: 342.00 °C. @ 760.00 mm Hg; 沸点: 342 °C; 密度: 0.958-0.960.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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