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Ethyl 2-nonynoate

Ethyl 2-nonynoate structure

CAS No:
10031-92-2
Formula:
C11H18O2
Chemical Name:
Ethyl 2-nonynoate
Synonyms:
2-Nonynoic acid,ethyl ester;Ethyl 2-nonynoate;NSC 190985
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Ethyl 2-nonynoate has a characteristic green, violet-like odor

Colourless oily liquid; Green, violet-like aroma

Ethyl 2-nonynoate Basic Attributes

Molecular Weight：

182.26

Exact Mass：

182.26

BRN：

1765230

EC Number：

233-098-0

UNII：

853DED009T

NSC Number：

190985

DSSTox ID：

DTXSID5064918

HScode：

2916190090

Characteristics

PSA：

26.3

XLogP3：

4.62

Density：

0.904 g/mL at 25 °C(lit.)

Boiling Point：

121-122 °C13 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.448(lit.)

Water Solubility：

46.45 mg/L @ 25 °C (est)|Soluble in oils; Insoluble in water|Soluble (in ethanol)

Vapor Pressure：

0.0107mmHg at 25°C

Toxicity：

The acute oral LD 50 in rats was reported as 2.85 g/kg (1.79-3.91 g/kg) (Moreno, 1973). The acute dermal LD 50 in rabbits was reported as 5 g/kg (Moreno, 1973).

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 126 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 2-nonynoate Use and Manufacturing

Manufacturing Info：

2-Nonynoic acid, ethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:182.26
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:182.130679813
Monoisotopic Mass:182.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 2-nonynoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Ethyl 2-nonynoate

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