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

개요

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

이름 및 식별자

우선 이름: 2-Methyl-2-pentenal
IUPAC: 2-methylpent-2-enal
영어명: 2-Methyl-2-pentenal
분자식: C6H10O
분자량: 98.14

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 82.2

실험 및 물리화학적 성질

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 · 2건

Insoluble in water; soluble in ether, benzene, methanol

soluble (in ethanol)

물리화학적 성질

녹는점: -90 °C · -90°C
끓는 점: 137 · 137-138 °C/765 mmHg (lit.)
밀도: 0.86 g/mL · 0.86 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.45(lit.)
FEMA: 3194 · 3194 | 2-METHYL-2-PENTENAL
인화점: 89 °F · 89 °F
저장 조건: Flammables area
물리적 상태: 액체
색상: 무색~담황색 투명
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 알데히드,녹색,가죽,과일,마늘,잘 익은 체리,흙
냄새 유형: 녹색
생물학적 소스: synthetic
수용성: 20 g/L · 20g/L(20ºC)
JECFA Number: 1209 · 1209
BRN: 506124 · 506124
주요 응용: 향료 및 향
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: 2 · 2-Pentenal, 2-methyl- (623-36-9)

화학적 성질

2-Methyl-2-pentenal has a powerful, grassy-green, slightly fruity odor.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 4건

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%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: SB2100000
ridadr: UN 1989 3/PG 3
HS 번호: 29121990
risk_code: 10-20-36-43-41
hazard_code: Xn
safety_code: 26-39-37-27-24
포장분류: III
위험 등급: 3
Hazard Classifications: Acute Tox. 3 InhalationAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Sens. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

IFRA Fragrance Standards · 6건

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 · 3건

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 (%) · 6건

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)]

응용 분야 · 3건

개요2-Methyl-2-pentenal has a powerful grassy-green, slightly fruity odor and can be prepared synthetically by aldolic condensation of propionaldehyde.

출처Reported 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

일반 설명2-Methyl-2-pentenal has been identified as one of the major volatile flavor compounds in chive, caucas, onion and leek.