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Isoamyl isovalerate

Isoamyl isovalerate structure

CAS No:
659-70-1
Formula:
C10H20O2
Chemical Name:
Isoamyl isovalerate
Synonyms:
Butanoic acid,3-methyl-,3-methylbutyl ester;Isovaleric acid,isopentyl ester;Isopentyl alcohol,isovalerate;iso-Amyl isovalerate;Isoamyl isovalerate;Isopentyl isovalerate;3-Methylbutyl 3-methylbutyrate;Isopentyl 3-methylbutyrate;Solusterol;Isopentyl 3-methylbutanoate;3-Methylbutyl 3-methylbutanoate;3-Methylbutyl isovalerate;Isoamyl 3-methylbutyrate;Isoamyl 3-methylbutanoate;NSC 6565
Categories:
Cosmetic Ingredient > Perfuming

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Description

Isoamyl isovalerate has a fruity, sweet, apple, apricot, mango-characteristic fruity odor and sweet-apple-like flavor.

Liquid|Colourless liquid with a fruity apple-like odour

Isoamyl isovalerate is a fatty acid ester.

Isoamyl isovalerate Basic Attributes

Molecular Weight：

172.26

Exact Mass：

172.26

EC Number：

201-730-4

UNII：

16M1VA1FJY

NSC Number：

6565

DSSTox ID：

DTXSID8044757

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

3.53

Appearance：

Liquid

Density：

0.9±0.1 g/cm3

Melting Point：

-58.15°C

Boiling Point：

190.4 °C

Flash Point：

152 °F

Refractive Index：

1.420

Water Solubility：

Soluble in most fixed oils, slightly soluble in propylene glycol, insoluble in water

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.8 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

NY1508000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|H411 (97.72%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 1722 companies from 6 notifications to the ECHA C&L Inventory.|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Isoamyl isovalerate Use and Manufacturing

Methods of Manufacturing

The isoamyl alcohol separated from fusel oil and the isoamyl acid purified by isoamyl alcohol after two oxidations are esterified in the presence of sulfuric acid. By isoamyl alcohol and isovaleraldehyde vapor (240 ~ 280 ℃) in the presence of hydrogen through the copper uranium catalyst column.

Uses

As apple essence for flavoring liqueurs and candy.

Manufacturing Info：

Butanoic acid, 3-methyl-, 3-methylbutyl 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:172.26
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Calcium chloride

Isoamyl alcohol

Ethanol

Methanol

Sulfuric acid

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2035-99-6
Isoamyl lactate

19329-89-6
Allyl isovalerate

2835-39-4
Cyclohexyl isovalerate Formula

7774-44-9
ETHYL ISOAMYL SULFIDE Formula

66481-77-4
Isoamyl isobutyrate Formula

2050-01-3
Isoamyl gallate Structure

2486-02-4
Butyl isovalerate Structure

109-19-3
What is 3-Phenylpropyl isovalerate

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What is Isoamyl nitrate

543-87-3

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Guide of Isoamyl isovalerate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Isoamyl isovalerate

SDS

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