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

HCID 98497CAS 91819-58-8
部分構造検索類似構造を探す

基本情報

標準SMILES
CC1=CCC(CC=O)C1(C)C
InChIKey
OGCGGWYLHSJRFY-UHFFFAOYSA-N
分子式
C10H16O
平均分子量
152.23 g/mol
単同位体質量
152.12011513

概要

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.

名称と識別子

優先名称
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
IUPAC
2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
英語名
2-(2,2,3-Trimethylcyclopent-3-enyl)acetaldehyde
分子式
C10H16O
分子量
152.23

名称と別名

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
名称をさらに表示
alpha-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

データベース識別子

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

物性

構造計算による物性

XLogP
1.9
極性表面積
17.1 Ų
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
11

物理化学的性質

沸点
42 · 42-43 °C(Press: 1 Torr)
比重(密度)
0.878 · 0.878
屈折率
1.459 · 1.459
貯蔵温度
-20 °C · Inert atmosphere,Store in freezer, under -20°C
EPAの化学物質情報
3 · 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl- (91819-58-8)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全データ

tsca
TSCA listed
hs_code
2912290090
化審法
新規公示化学物質（2011年3月31日以前届出）

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-: INACTIVE

応用分野

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

上流・下流製品情報

サプライヤー9 社

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

補足説明

定義ChEBI: 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.

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