CAS 23727-16-4 Myrtenal (HCID 61130)

部分構造検索類似構造を探す

基本情報

CAS: 23727-16-4
標準SMILES: CC1(C)C2CC=C(C=O)C1C2
InChIKey: KMRMUZKLFIEVAO-UHFFFAOYSA-N
分子式: C10H14O
平均分子量: 150.22 g/mol
単同位体質量: 150.10446507

概要

(+)-myrtenal has been reported in Artemisia annua, Chamaecyparis formosensis, and other organisms with data available.

名称と識別子

優先名称: Myrtenal
IUPAC: 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
現地名: (1S,5R)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-カルボアルデヒド
英語名: myrtenal,(+)-(1S)-6,6-dimethyl-bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde
分子式: C10H14O
分子量: 150.22

名称と別名

Myrtenal564-94-3(1R)-(-)-Myrtenal6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehydeBicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-D-myrtenal(+)-Myrtenal(1S)-Myrtenal2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene2-Norpinene-2-carboxaldehyde, 6,6-dimethyl-BICYCLO(3.1.1)HEPT-2-ENE-2-CARBOXALDEHYDE, 6,6-DIMETHYL-(1R)-(?)-Myrtenal

名称をさらに表示

(1α,5α)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-カルボアルデヒド(+)-ミルテナール(1S,5R)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-カルボアルデヒド[1S,5R,(+)]-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-カルボアルデヒド(1S,5R)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-カルバルデヒド[1S,5R,(+)]-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehydeBicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, (1S,5R)-myrtenal,(+)-(1S)-6,6-dimethyl-bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde

(+/-)-MYRTENAL(1S,5R)-(+)-6,6-Dimethyl-2-norpinene-2-carboxaldehydeMyrtenal (Mixture of Enantiomers)(1S)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxaldehyde6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxaldehyde6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-ENE-2-CARBOXALDEHYDE6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxaldehyde; (+/-)-Myrtenal; 6,6-Dimethyl-2-norpinene-2-carboxaldehyde; Benihinal; Myrtenal; NSC 54384(1r)-(-) myrtenal

物性

構造計算による物性

XLogP: 2.1
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: 1
重原子数: 11
形式電荷: 0
複雑度: 225

実験および物理化学的性質

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

FragrancesFragrance Ingredient (2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene) -> IFRA transparency List

LogP2.98

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

Density0.984-0.990

Flavoring AgentsEU Flavoring substances

物理化学的性質

安全と法規制

危険有害性情報

Regulatory Information · 3 件

Chemical: Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-

Regulation (EC) No 1334/2008 (amended)

Bicyclo3.1.1hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-: Environment tier I assessment

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 3 件

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-: ACTIVE

サプライヤー2 社

Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]

陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]

化合物ノート

読み込み中…

(1S,5R)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-カルボアルデヒド