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

Name: 3,7-DIMETHYL-6-OCTEN-1-YL FORMATE
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 15126

CAS 105-85-1C11H20O2MW 184.27

3,7-DIMETHYL-6-OCTEN-1-YL FORMATE (CAS 105-85-1) — formula C11H20O2, molecular weight 184.27; category organic chemicals.

Specifications

CAS Number105-85-1

Molecular FormulaC11H20O2

Molecular Weight184.27

Boiling Point235.00 °C. @ 760.00 mm Hg

LogP3.800

CategoryOrganic Chemicals

Purchase Profile

What this product is

3,7-DIMETHYL-6-OCTEN-1-YL FORMATE is a carbon-based organic compound with CAS registry number 105-85-1 and molecular formula C11H20O2 (molecular weight 184.27), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 105-85-1

Its molecular formula C11H20O2 comprises 11 C, 20 H, 2 O atoms.

Also known as: 3,7-DIMETHYL-6-OCTEN-1-YL FORMATE · CITRONELLYL FORMATE

Category: organic chemicals

Frequently Asked Questions

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

The CAS registry number of 3,7-DIMETHYL-6-OCTEN-1-YL FORMATE is 105-85-1.

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

Molecular formula C11H20O2, molecular weight 184.27.

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

It is also registered under: 3,7-DIMETHYL-6-OCTEN-1-YL FORMATE, CITRONELLYL FORMATE.

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

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 3,7-DIMETHYL-6-OCTEN-1-YL FORMATE (CAS 105-85-1), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	16.5% (295 / 1783)
Reported hazard statements	H315 (82.1%), H317 (81.3%)

This chemical does not meet GHS hazard criteria for 16.5% (295 of 1783) of reports.

H315 (82.1%): Causes skin irritation [Warning Skin corrosion/irritation]

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Fruit
GHS notification summary	16.5% (295 / 1783)

Physical description and handling notes

colourless liquid/strong, fruity, floral odour
soluble in alcohol, most fixed oils; slightly soluble in propylene glycol; insoluble in glycerin, water
1 ml in 3 ml 80% alcohol remains in soln to 10 ml (in ethanol)

Reported physical properties

沸点	235.00 °C. @ 760.00 mm Hg
沸点	235 °C
密度	0.890-0.903
LogP	3.800
折射率	1.443-1.452

How this substance is indexed

CAS Registry Number	105-85-1
PubChem CID	7778
分子式	C11H20O2
IUPAC 名称	3,7-dimethyloct-6-enyl formate
UNII（FDA）	7B1MY2BRDK
FEMA 编号	2314
JECFA 编号	53

Documented uses

Flavoring Agents -> JECFA Flavorings Index
Information on 6 consumer products that contain Citronellyl Formate in the following categories is provided:
6-Octen-1-ol, 3,7-dimethyl-, 1-formate: ACTIVE

Names this substance appears under

Citronellyl formate; 105-85-1; 6-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATE; 3,7-dimethyloct-6-enyl formate; FEMA No. 2314; (1)-3,7-Dimethyloct-6-enyl formate; DTXSID1044772; 7B1MY2BRDK; 6-Octen-1-ol, 3,7-dimethyl-, 1-formate; NSC-46117; DTXCID9024772; RefChem:577485; 203-338-9; 300-075-2; 3,7-dimethyloct-6-en-1-yl formate; Citronellol formate

Computed molecular descriptors

分子量	184.27
XLogP3	3.8
氢键供体数	0
氢键受体数	2
可旋转键数	7
精确质量	184.146329876
单同位素质量	184.146329876
拓扑极性表面积	26.3
重原子数	13
形式电荷	0

Database abstract

3,7-DIMETHYL-6-OCTEN-1-YL FORMATE · CAS 105-85-1 · C11H20O2. UNII 7B1MY2BRDK. 沸点: 235.00 °C. @ 760.00 mm Hg; 沸点: 235 °C; 密度: 0.890-0.903.

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

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