1,2,4-トリメトキシ-5-(1-プロペニル)ベンゼン

1,2,4-Trimethoxy-5-(1-propenyl)benzene

HCID 17903

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 494-40-6
標準SMILES: CC=Cc1cc(OC)c(OC)cc1OC
InChIKey: RKFAZBXYICVSKP-UHFFFAOYSA-N
分子式: C12H16O3
平均分子量: 208.25 g/mol
単同位体質量: 208.10994437

名称と識別子

優先名称: 1,2,4-Trimethoxy-5-(1-propenyl)benzene
IUPAC: 1,2,4-trimethoxy-5-prop-1-enylbenzene
現地名: 1,2,4-トリメトキシ-5-(1-プロペニル)ベンゼン
英語名: 1,2,4-trimethoxy-5-propenylbenzene
分子式: C12H16O3
分子量: 208.25

名称と別名

1,2,4-trimethoxy-5-prop-1-enylbenzene494-40-6Azaron1,2,4-Trimethoxy-5-(1-propenyl)benzeneDTXSID20197784RefChem:906651DTXCID00819492207-788-71,2,4-Trimethoxy-5-propenylbenzene1,2,4-trimethoxy-5-(prop-1-en-1-yl)benzenealpha-Asarone;trans-Asaronecis-1-Propenyl-2,4,5-trimethoxybenzene

名称をさらに表示

1,4,5-トリメトキシ-2-(1-プロペニル)ベンゼン1,2,4-トリメトキシ-5-(1-プロペニル)ベンゼン1-(1-プロペニル)-2,4,5-トリメトキシベンゼン1,2,4-トリメトキシ-5-(プロパ-1-エン-1-イル)ベンゼン2,4,5-トリメトキシ-1-(1-プロペニル)ベンゼンBETA-AZARONECIS-ANDTRANS-ASARONE1,4,5-Trimethoxy-2-(1-propenyl)benzene1-(1-Propenyl)-2,4,5-trimethoxybenzeneBenzene, 1,2,4-trimethoxy-5-(1-propen-1-yl)-

Benzene, 1,2,4-trimethoxy-5-(1Z)-1-propenyl-|?-AsaroneB-ASARONESCHEMBL940800orb12221032,4,5 trimethoxy phenyl propeneRKFAZBXYICVSKP-UHFFFAOYSA-NHMS3750A07

データベース識別子

CAS: 494-40-6
PubChem CID: 17903
DTXSID: DTXSID20197784
EC Number: 207-788-7

物性

構造計算による物性

XLogP: 3
極性表面積: 27.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 15
形式電荷: 0
複雑度: 203

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

FragrancesFragrance substance (cis-and trans-Asarone) -> IFRA amendment 40

物理化学的性質

融点: 67 °C · 67°C
沸点: 296 °C · 296°C (estimate)
比重(密度): 1.165 · 1.1650
屈折率: 1.5683 · 1.5683 (estimate)
臭い (Odor): 無臭
LogP: 3.406 · 3.406 (est)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

用途と製造

IFRA Fragrance Standards · 6 件

cis-and trans-Asarone

494-40-6:; Benzene, 1,2,4-trimethoxy-5-(1-propen-1-yl)- (unspecified isomer); (E)-and (Z)-2,4,5-Trimethoxypropen-1-yl benzene); 2883-98-9:; Î±-Asarone; trans-Asarone; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-; trans-Isoasarone; 5273-86-9:; Ã-Asarone; cis-Ã-Asarone; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-; cis-Isoasarone

IFRA_STD_110.pdf

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

Prohibition: This material should not be used as a fragrance ingredient_Restriction: This material should be used only in the limited quantity as stated in the Standard