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(E)-2-Pentenal

(E)-2-Pentenal structure

CAS No:
1576-87-0
Formula:
C5H8O
Chemical Name:
(E)-2-Pentenal
Synonyms:
2-Pentenal,(2E)-;2-Pentenal,(E)-;(2E)-2-Pentenal;trans-2-Pentenal;(E)-2-Pentenal;2-trans-Pentenal;149681-63-0
Categories:
Organic Chemistry > Aldehydes

Description

CLEAR COLORLESS TO YELLOW LIQUID

Colourless to light yellow liquid; Pungent green, fruity aroma

(E)-2-pentenal is a 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk. It has a role as a plant metabolite.

(E)-2-Pentenal Basic Attributes

Molecular Weight：

84.12

Exact Mass：

84.12

EC Number：

216-414-1

UNII：

7A4R3CQA2T

DSSTox ID：

DTXSID9061091|DTXSID80858788

HScode：

29121900

Characteristics

PSA：

17.07000

XLogP3：

1.04

Appearance：

Colourless to light yellow liquid; Pungent green, fruity aroma

Density：

0.86 g/mL at 25 °C(lit.)

Melting Point：

140-141 °C @ Solvent: Methanol

Boiling Point：

80-81 °C @ Press: 160 Torr

Flash Point：

73 °F

Refractive Index：

n 20/D 1.440-1.446(lit.)

Water Solubility：

Insoluble in water; soluble in PG, in most fixed oils

Toxicity：

mic-sat 50 ng/plate EMMUEG 19,338,1992

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1989 3/PG 2

wgk germany：

hazard class code：

R11;R36/37/38

safety instructions：

29-37/39-26-16

RTECS Number：

SB1560000

Marks：

Xi,F

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P312, P321, P322, P330, P333+P313, P337+P313, P361, P363, P370+P378, P391, P403+P235, P405, and P501|Aggregated GHS information provided by 1551 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225 (97.87%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-pentenal

(E)-2-Pentenal Use and Manufacturing

Manufacturing Info：

2-Pentenal: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:84.12
XLogP3:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:55
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1576-87-0

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High quality Trans-2-Pentenal CAS NO.1576-87-0

CAS No.: 1576-87-0

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