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4-Pentenoic acid

4-Pentenoic acid structure

CAS No:
591-80-0
Formula:
C5H8O2
Chemical Name:
4-Pentenoic acid
Synonyms:
4-Pentenoic acid;Δ4-Pentenoic acid;Allylacetic acid;NSC 20944;NSC 9000;(3-Vinyl)propionic acid
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

4-Pentenoic acid is an endogenous metabolite.

Liquid|colourless liquid with a cheese-like odour

Pent-4-enoic acid is a pentenoic acid having the double bond at position 4. It is a conjugate acid of a pent-4-enoate.

4-Pentenoic acid Basic Attributes

Molecular Weight：

100.12

Exact Mass：

100.12

BRN：

1633696

EC Number：

228-028-0

UNII：

D4S77Y29FB

NSC Number：

20944|9000

DSSTox ID：

DTXSID0044448

HScode：

29161980

Characteristics

PSA：

37.3

XLogP3：

0.8

Appearance：

Clear colorless to light yellow Liquid

Density：

0.992 g/cm³ @ Temp: 15 °C

Melting Point：

-22.5 °C

Boiling Point：

188.5 °C

Flash Point：

193 °F

Refractive Index：

1.439

Water Solubility：

soluble in alcohol, Slightly soluble in water

Storage Conditions：

2-8°C

Vapor Density：

>1 (vs air)

Toxicity：

LD50 oral in rat: 470mg/kg

Explosive limit：

1.58%(V)

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

34-22

safety instructions：

26-36/37/39-45

RTECS Number：

SC4751000

Marks：

C,T

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H314

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 1548 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-pentenoate

4-Pentenoic acid Use and Manufacturing

Uses

Sulfonation yields the corresponding γ-lactone.1

Manufacturing Info：

4-Pentenoic acid: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:100.12
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:76.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Allylacetic acid

CAS No.: 591-80-0

Content: 99.00%

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Greenbo Biochem Contact Supplier

CN
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Manufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED Intermediates

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CAS No.: 591-80-0

Grade: Pharmaceutical Grade

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Guide of 4-Pentenoic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4-Pentenoic acid

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