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Methyl 2-nonynoate

Methyl 2-nonynoate structure

CAS No:
111-80-8
Formula:
C10H16O2
Chemical Name:
Methyl 2-nonynoate
Synonyms:
2-Nonynoic acid,methyl ester;Methyl 2-nonynoate;NSC 72102;Methyl octine carbonate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Liquid

Liquid|Colourless oily liquid; Peach, violet aroma

Methyl non-2-ynoate is a ynoate ester.

Methyl 2-nonynoate Basic Attributes

Molecular Weight：

168.23

Exact Mass：

168.23

BRN：

1759870

EC Number：

203-909-2

UNII：

8RN66UR57V

NSC Number：

72102

DSSTox ID：

DTXSID3047639

HScode：

2916190090

Characteristics

PSA：

26.3

XLogP3：

4.09

Appearance：

Liquid

Density：

0.9±0.1 g/cm3

Boiling Point：

121 °C20 mm Hg(lit.)

Flash Point：

213 °F

Refractive Index：

1.447

Water Solubility：

Soluble in oils; Insoluble in water

Storage Conditions：

2-8°C

Vapor Pressure：

0.0568mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-22-36/38

safety instructions：

26-36/37/39-37/39

RTECS Number：

RB3450000

Marks：

Precautionary statement(s)：

P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P333+P313, P362, P363, P391, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (99.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P333+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 1823 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-nonynoic acid methyl ester

Methyl 2-nonynoate Use and Manufacturing

Methods of Manufacturing

From 2-octene through 1-octyne to octyne carboxylic acid, and then esterified with methanol.

Uses

Ester synthetic fragrance.

Air care products

Production

< 25,000 lb

Manufacturing Info：

2-Nonynoic acid, methyl ester: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|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:168.23
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:168.115029749
Monoisotopic Mass:168.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methanol

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CAS No.: 111-80-8

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Guide of Methyl 2-nonynoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Methyl 2-nonynoate

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