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4-Pentenal

4-Pentenal structure

CAS No:
2100-17-6
Formula:
C5H8O
Chemical Name:
4-Pentenal
Synonyms:
4-Pentenal;Pent-4-en-1-al
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless liquid; cooked brown and roasted aroma.

Colourless liquid; Cooked brown and roasted aroma

4-Pentenal is an aldehyde.

4-Pentenal Basic Attributes

Molecular Weight：

84.118

Exact Mass：

84.12

EC Number：

218-265-8

UNII：

71K1W8950B

DSSTox ID：

DTXSID1062178

HScode：

2912190090

Characteristics

PSA：

17.1

XLogP3：

1.12

Appearance：

Colourless liquid; Cooked brown and roasted aroma

Density：

0.852 g/cm³ @ Temp: 20 °C

Melting Point：

240 °C(lit.)

Boiling Point：

99 °C

Flash Point：

-3.4±7.8 °C

Refractive Index：

1.401

Water Solubility：

Immiscible with water.

Toxicity：

LD50 orl-rat: 620 mg/kg AIHAAP 23,95,62

Safety Information

Packing level：

Hazard category：

Transport codes：

1989

wgk germany：

hazard class code：

R10;R20/21/22

safety instructions：

26-36/37/39

RTECS Number：

SB1575000

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P332+P313, P362, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P332+P313, P362, P363, and P501|Aggregated GHS information provided by 1379 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Pentenal Use and Manufacturing

Uses

Flavoring Agents -> JECFA Flavorings Index

Manufacturing Info：

4-Pentenal: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:84.12
XLogP3:0.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:47.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Pentenal

CAS No.: 2100-17-6

Content: 99.00%

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