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Hexyl 2-butenoate

Hexyl 2-butenoate structure

CAS No:
19089-92-0
Formula:
C10H18O2
Chemical Name:
Hexyl 2-butenoate
Synonyms:
2-Butenoic acid,hexyl ester;Crotonic acid,hexyl ester;Hexyl crotonate;Hexyl 2-butenoate;NSC 67983;n-Hexyl 2-butenoate
Categories:
Cosmetic Ingredient > Perfuming

Description

Colorless liquid; fruity odor. Sol in alc, fixed oils; insol in water, propylene glycol. n-Hexyl-2-Butenoate has a fruity, pineapple, tropical fruit odor.

Colourless liquid; Fruity aroma

Hexyl 2-butenoate Basic Attributes

Molecular Weight：

170.25

Exact Mass：

170.25

EC Number：

242-808-8

DSSTox ID：

DTXSID5066455

Characteristics

PSA：

26.30000

XLogP3：

2.68600

Density：

0.885 g/mL at 25 °C(lit.)

Melting Point：

-89.9°C (estimate)

Boiling Point：

209.9°C (estimate)

Flash Point：

193 °F

Refractive Index：

n 20/D 1.438(lit.)

Water Solubility：

Insoluble in water, propylene glycol; soluble in most fixed oils|Soluble (in ethanol)

Vapor Pressure：

0.146mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

GQ4222000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

Not Classified

Hexyl 2-butenoate Use and Manufacturing

Methods of Manufacturing

It is made of crotonic acid (2-butenoic acid) and hexanol under the catalysis of sulfuric acid.

Uses

Food additive.

Manufacturing Info：

2-Butenoic acid, hexyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:170.25
XLogP3:3.2
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

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Guide of Hexyl 2-butenoate

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

Hexyl 2-butenoate

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