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Hexanal

Hexanal structure

CAS No:
66-25-1
Formula:
C6H12O
Chemical Name:
Hexanal
Synonyms:
Hexanal;Caproaldehyde;Caproic aldehyde;Capronaldehyde;Hexaldehyde;n-Hexanal;n-Caproaldehyde;Hexylaldehyde;n-Capronaldehyde;Hexanaldehyde;n-Hexylaldehyde;NSC 2596
Categories:
Cosmetic Ingredient > Fragrance Ingredient

Description

Hexanal has a fatty, green, grassy, powerful, penetrating characteristic fruity odor and taste (on dilution). Colorless liquid; sharp aldehyde odor.Immiscible with water. Hexanal occurs, for example, in apple and strawberry aromas as well as in orange and lemon oil. It is a colorless liquid with a fatty, green odor and, in low concentration, is reminiscent of unripe fruit.
Hexanal is used in fruit flavors and, when highly diluted, in perfumery for obtaining fruity notes.

Hexanal, or hexanaldehyde, is an alkyl aldehyde used in the flavor industry to produce fruity flavors. Its scent resembles freshly cut grass, like cis-3-hexenal.

Hexanal Basic Attributes

Molecular Weight：

100.16

Exact Mass：

100.16

BRN：

506198

EC Number：

200-624-5

HScode：

2912190090

Characteristics

PSA：

17.1

XLogP3：

1.78

Appearance：

Clear colorless to slightly yellow Liquid

Density：

0.8165 g/cm³ @ Temp: 20 °C

Melting Point：

-56 °C

Boiling Point：

131 °C @ Press: 760 Torr

Flash Point：

90 °F

Refractive Index：

1.396

Water Solubility：

H2O: 4.8 g/L (20 ºC)

Storage Conditions：

2-8°C

Vapor Pressure：

10 mm Hg ( 20 °C)

Vapor Density：

>1 (vs air)

Toxicity：

Oral-Rat LD50: 4890 mg/kg; Oral-Mouse LD50: 8292 mg/kg

Flammability characteristics：

In case of fire, high temperature, oxidant is more flammable; burning produces irritating smoke

Explosive limit：

Possibility of hazardous reactions: Vapors may form explosive mixture with air.

Odor：

Characteristic fruity odor (on dilution)

Taste：

Characeteristic fruity taste (on dilution)

PH：

Acid value (max): 10.0

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1207 3/PG 3

wgk germany：

hazard class code：

10-36-36/37/38

safety instructions：

37/39-26-16-9

RTECS Number：

MN7175000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from oxidant

Hazard note：

Irritant

Stability/Shelf Life：

Stable. Flammable. Incompatible with oxidizing agents, strong bases, strong reducing agents.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H226-H319

RIDADR：

UN 1207

Toxicity

Toxicity class：

practically nontoxic

Hexanal Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of calcium caproate and formic acid.

Uses

Used in Wittig and Aldol reactions. Also used as a reagent for gas chromatography analysis

Computed Properties

Molecular Weight:100.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:100.088815002
Monoisotopic Mass:100.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:41.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

20664-46-4

Recommended Suppliers of Hexanal

SHANDONG LOOK CHEMICAL CO.,LTD Contact Supplier

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CAS No.: 66-25-1

Content: 99%

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CN
5 YRS

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Hexanal

CAS No.: 66-25-1

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Content: 98%

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Hexanal 99% kanbei

CAS No.: 66-25-1

Content: 99%

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CN
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n-Hexanal (66-25-1)

CAS No.: 66-25-1

Grade: Pharmaceutical Grade

Content: 99%

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Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
3 YRS

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CAS No.: 66-25-1

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Guide of Hexanal

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Synthesis Route
Recommended Suppliers
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