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Methyl 2-nonenoate

Methyl 2-nonenoate structure

CAS No:
111-79-5
Formula:
C10H18O2
Chemical Name:
Methyl 2-nonenoate
Synonyms:
2-Nonenoic acid,methyl ester;Methyl 2-nonenoate;Neofolione;NSC 76416
Categories:
Cosmetic Ingredient > Perfuming

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Description

Colourless or light-yellow liquid; Green, violet aroma

Methyl 2-nonenoate Basic Attributes

Molecular Weight：

170.25

Exact Mass：

170.25

EC Number：

203-908-7

DSSTox ID：

DTXSID8047638

Characteristics

PSA：

26.3

XLogP3：

2.68600

Appearance：

Colourless or light-yellow liquid; Green, violet aroma

Density：

0.9±0.1 g/cm3

Boiling Point：

108-109 °C @ Press: 12 Torr

Flash Point：

196 °F

Refractive Index：

1.440

Water Solubility：

Insoluble in water; soluble in non-polar solvents

Vapor Pressure：

0.146mmHg at 25°C

Safety Information

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

36/38-51/53

safety instructions：

26-61

RTECS Number：

RA9470000

Marks：

Xi,N

Precautionary statement(s)：

P273-P305 + P351 + P338

Hazard Statements：

H315-H319-H411

GHS Classification：

Not Classified

Methyl 2-nonenoate Use and Manufacturing

Methods of Manufacturing

Derived from dehydrogenation of methyl nonanoate.

Uses

Used in the preparation of daily chemicals, soap and food flavors

Manufacturing Info：

2-Nonenoic 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|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:170.25
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:139
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Triethylamine

Carbon dioxide

Methanol

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CAS No.: 111-79-5

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Guide of Methyl 2-nonenoate

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

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