2-(2,2,3-트리메틸사이클로펜트-3-에닐)아세트알데히드

3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-

HCID 98497CAS 91819-58-8

기본 정보

표준 SMILES: CC1=CCC(CC=O)C1(C)C
InChIKey: OGCGGWYLHSJRFY-UHFFFAOYSA-N
분자식: C10H16O
평균 분자량: 152.23 g/mol
단동위원소 질량: 152.12011513

개요

Alpha-campholenaldehyde is an aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina. It has a role as a fragrance and a plant metabolite. It is a monocyclic compound and an alpha-CH2-containing aldehyde. It is functionally related to an acetaldehyde. It derives from a hydride of a cyclopentene.

이름 및 식별자

우선 이름: 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
IUPAC: 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
현지명: 2-(2,2,3-트리메틸사이클로펜트-3-에닐)아세트알데히드
영어명: 2-(2,2,3-Trimethylcyclopent-3-enyl)acetaldehyde
분자식: C10H16O
분자량: 152.23

이름 및 동의어

Campholenic aldehyde3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-2,2,3-Trimethyl-3-cyclopenten-1-acetaldehydeDTXSID60859874NSC 58148NSC 96743RefChem:500837DTXCID6020991191819-58-82-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehydeCampholenealdehydealpha-Campholenic aldehyde

이름 더 보기

2-(2,2,3-트리메틸사이클로펜트-3-에닐)아세트알데히드alpha-campholenaldehyde2-(2,2,3-Trimethylcyclopent-3-en-1-yl)

.alpha.-Campholene aldehydeMFCD000438502-(2,2,3-trimethylcyclopent-3-enyl)acetaldehydealpha-Campholene aldehyde(R)-Campholenic aldehyde.alpha.-Campholenic aldehydeNSC-58148NSC-96743

데이터베이스 식별자

CAS: 91819-58-8
PubChem CID: 98497
DTXSID: DTXSID60859874
ChEBI: CHEBI:48697
UNII: 3PT83BF2PD
EC Number: 114-151-6
Nikkaji: J93.653G

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 189

물리화학적 성질

끓는 점: 42 · 42-43 °C(Press: 1 Torr)
밀도: 0.878 · 0.878
굴절률: 1.459 · 1.459
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
EPA: 3 · 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl- (91819-58-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesResp. Sens. 1 (100%)

안전 데이터

tsca: TSCA listed
HS 번호: 2912290090

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-: INACTIVE

응용 분야

용도Campholenealdehyde is a useful in probing the Lewis acidity and catalytic activity of the metal-organic framework of cupric benzene-1,3,5-tricarboxylate.

상·하류 제품 정보

상류 원료

공급사9 곳

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

上海恩诺生物科技有限公司+86 (21) 6435-5022

HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

安徽今昱生物化工产品技术研发有限公司055167162561 13295518198

추가 설명

정의ChEBI: An aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina.