CAS 623-36-9 2-Methyl-2-pentenal (HCID 12177)

概要

2-Methyl-2-pentenal has been reported in Zea mays, Opuntia ficus-indica, and other organisms with data available.

名称と識別子

優先名称: 2-Methyl-2-pentenal
IUPAC: 2-methylpent-2-enal
現地名: 2-メチル-2-ペンテン-1-アール
英語名: 2-Methyl-2-pentenal
分子式: C6H10O
分子量: 98.14

名称と別名

2-Methylpent-2-enal2-Pentenal, 2-methyl-DTXSID3052301alpha-Methyl-beta-ethylacroleinbeta-Ethyl-alpha-methylacroleinFEMA No. 3194DTXCID0030873947O3MC76MNSC-9464RefChem:910041210-789-52-Methyl-2-pentenal

名称をさらに表示

2-メチル-2-ペンテン-1-アール2-メチル-2-ペンテナール2‐メチル‐2‐ペンテナール2-メチルペンタ-2-エナールFEMA 3194Methyl-2-pente2-MethylpentenalCH3CH2CH=C(CH3)CHO2-methyl-2-pentena2-METHYL-2-PERTENAL2-Pentenal,2-methyl-2-METHYL-2-PENTENE-AL

623-36-92-methyl-pent-2-enal2-Methyl-2-penten-1-al2-methyl 2-pentenalSCHEMBL191299orb2893647SCHEMBL2164382SCHEMBL17581105

データベース識別子

CAS: 623-36-9
PubChem CID: 12177
DTXSID: DTXSID3052301
EC Number: 210-789-5

物性

構造計算による物性

XLogP: 1.4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 82.2

実験および物理化学的性質

SpringerMaterials PropertiesDensity

FragrancesFragrance Ingredient (2-Methyl-2-pentenal) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.855-0.865

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Insoluble in water; soluble in ether, benzene, methanol

soluble (in ethanol)

物理化学的性質

融点: -90 °C · -90°C
沸点: 137 · 137-138 °C/765 mmHg (lit.)
比重(密度): 0.86 g/mL · 0.86 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.45(lit.)
FEMA: 3194 · 3194 | 2-METHYL-2-PENTENAL
闪点: 89 °F · 89 °F
貯蔵温度: Flammables area
外見: 液体
色: 無色透明～淡黄色
臭い (Odor): 10 %。アルデヒド · ジプロピレングリコール中10.00%。アルデヒドグリーン皮質フルーティネギ科熟したチェリー素朴な香り
においのタイプ: 緑
由来生物: synthetic
水溶解度: 20 g/L · 20g/L(20℃)
JECFA Number: 1209 · 1209
BRN: 506124 · 506124
主な用途: フレーバーそして香料
InChI: 1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+
InChIKey: IDEYZABHVQLHAF-GQCTYLIASA-N
SMILES: [H]C(=O)\C(C)=C\CC
LogP: 1.6 · 1.60
EPAの化学物質情報: 2 · 2-Pentenal, 2-methyl- (623-36-9)

化学的性質

化学的特性2-Methyl-2-pentenal has a powerful, grassy-green, slightly fruity odor.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1582 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 2-Pentenal, 2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 08-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19108

2-Pentenal, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 1
tsca: TSCA listed
rtecs: SB2100000
ridadr: UN 1989 3/PG 3
hs_code: 29121990
risk_code: 10-20-36-43-41
消防法: 危-4-2-III
hazard_code: Xn
safety_code: 26-39-37-27-24
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 3 InhalationAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Sens. 1
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

IFRA Fragrance Standards · 6 件

2-Methyl-2-pentenal

2-Methyl-2-pentenal; 2-Methylpent-2-enal; 2-Pentenal, 2-methyl-; 2,4-Dimethylcrotonaldehyde; Î±-Methyl-Î²-ethylacrolein; alpha-Methyl-beta-ethylacrolein

IFRA_STD_228.pdf

51

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Restriction: This material should be used only in the limited quantity as stated in the Standard

Use Classification · 3 件

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Pentenal, 2-methyl-: ACTIVE

Restriction Limits in the Finished Product (%) · 6 件

0.0014 [Products applied to the lips]

0.00041 [Products applied to the axillae]

0.0083 [Products applied to the face/body using fingertips]

0.0077 [Products related to fine fragrances]

0.0020 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]

0.0020 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]

応用分野 · 3 件

説明2-Methyl-2-pentenal has a powerful grassy-green, slightly fruity odor and can be prepared synthetically by aldolic condensation of propionaldehyde.

天然物の起源Reported found as a volatile component in onion. Also reported found in roasted onion, roasted peanut, cranberry, guava, grapes, grape brandy, papaya, shallots, leek, chive, fried potato, mustard, parmesan cheese, fish, roast chicken, cooked beef, beer, cognac, coffee, tea, peanut, Japanese plum, mango, walnut, prickly pear, pumpkin, oysters, lamb’s lettuce and maté

一般的な説明2-Methyl-2-pentenal has been identified as one of the major volatile flavor compounds in chive, caucas, onion and leek.