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Butyl 10-undecenoate

Butyl 10-undecenoate structure

CAS No:
109-42-2
Formula:
C15H28O2
Chemical Name:
Butyl 10-undecenoate
Synonyms:
10-Undecenoic acid,butyl ester;Butyl 10-undecenoate;Butyl 10-undecylenate;NSC 2395;n-Butyl 10-undecenoate
Categories:
Cosmetic Ingredient > Perfuming

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Description

colourless to pale yellow liquid

Butyl undecylenate is a fatty acid ester.

Butyl 10-undecenoate Basic Attributes

Molecular Weight：

240.38

Exact Mass：

240.38

EC Number：

203-670-4

UNII：

O3OKK2UWV6

NSC Number：

2395

DSSTox ID：

DTXSID4047624

HScode：

2916190090

Characteristics

PSA：

26.30000

XLogP3：

4.63650

Appearance：

colourless to pale yellow liquid

Density：

0.87 g/mL at 25ºC(lit.)

Melting Point：

1.3°C (estimate)

Boiling Point：

116 °C

Flash Point：

>230 °F

Refractive Index：

n20/D 1.4413(lit.)

Water Solubility：

0.1556 mg/L @ 25 °C (est)

Vapor Pressure：

0.00104mmHg at 25°C

Toxicity：

Oral-rat LD50: 5000 mg/kg

Flammability characteristics：

Thermal decomposition spicy irritating smoke

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

YQ2978000

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1401 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

practically nontoxic

Butyl 10-undecenoate Use and Manufacturing

Methods of Manufacturing

It is formed by esterification of 10-undecylenic acid and n-butanol in the presence of concentrated sulfuric acid (or in benzene solution) by heating and boiling.

Uses

Spices for food. Mainly used to prepare cream and wine flavors.

Manufacturing Info：

10-Undecenoic acid, butyl 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:240.38
XLogP3:5.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:13
Exact Mass:240.208930132
Monoisotopic Mass:240.208930132
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Butanol

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Guide of Butyl 10-undecenoate

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

Butyl 10-undecenoate

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