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(E)-2-Octenal

(E)-2-Octenal structure

CAS No:
2548-87-0
Formula:
C8H14O
Chemical Name:
(E)-2-Octenal
Synonyms:
2-Octenal,(2E)-;2-Octenal,(E)-;(2E)-2-Octenal;trans-2-Octenal;trans-Oct-2-en-1-al;(E)-2-Octenal;(E)-2-Octen-1-al;(2E)-Octenal;(E)-Octen-2-enal;2-(E)-Octenal
Categories:
Cosmetic Ingredient > Perfuming

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Description

Colorless liquid

Colourless to slightly yellow liquid; Fatty, green aroma

(E)-oct-2-enal is the (E)-isomer of oct-2-enal. It has a role as an antifungal agent and a volatile oil component.

(E)-2-Octenal Basic Attributes

Molecular Weight：

126.19600

Exact Mass：

126.20

EC Number：

219-115-4

UNII：

55N91D7775

DSSTox ID：

DTXSID0062349|DTXSID40858789

HScode：

2912190090

Characteristics

PSA：

17.07000

XLogP3：

2.32180

Appearance：

Colourless to slightly yellow liquid; Fatty, green aroma

Density：

0.846

Melting Point：

3.5°C (estimate)

Boiling Point：

75-78 °C @ Press: 13 Torr

Flash Point：

150 oF

Refractive Index：

1.45

Water Solubility：

Not miscible or difficult to mix in water. Soluble in alcohol and fixed oils.

Vapor Density：

>1 (vs air)

Toxicity：

dnd-ham-fbr 250 mmol/l/1H MUREAV 497,185,2001

Henrys Law Constant：

7.34e-05 atm-m3/mole

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

RTECS Number：

RH2130000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.96%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 162 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1544 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-octenal

(E)-2-Octenal Use and Manufacturing

Uses

Used in the preparation of cherries, dairy products, nuts, meat flavors.

Manufacturing Info：

2-Octenal: ACTIVE|2-Octenal, (2E)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty aldehydes [FA06]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:126.20
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:84.6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Butanal

Sulfuric acid

Downstream Products

1-Octanol

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Guide of (E)-2-Octenal

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
Learn More Other Chemicals

(E)-2-Octenal

SDS

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