(Z)-1-(2,4,5-トリメトキシフェニル)-1-プロペン

Beta-Asarone

HCID 5281758

基本情報

CAS
5273-86-9
標準SMILES
C/C=C\c1cc(OC)c(OC)cc1OC
InChIKey
RKFAZBXYICVSKP-WAYWQWQTSA-N
分子式
C12H16O3
平均分子量
208.25 g/mol
単同位体質量
208.10994437

概要

Asarone is a phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus. It has a role as a plant metabolite. It is an alkenylbenzene, a phenylpropanoid and a member of methoxybenzenes.

名称と識別子

優先名称
Beta-Asarone
IUPAC
1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene
現地名
(Z)-1-(2,4,5-トリメトキシフェニル)-1-プロペン
英語名
BETA-ASARONE
分子式
C12H16O3
分子量
208.25

名称と別名

beta-Asarone5273-86-9(Z)-Asaronecis-Isoelemicincis-Asaronecis-IsoasaroneIGA3MH6IUW1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene(Z)-5-Propenyl-1,2,4-trimethoxybenzenecis-beta-Asarone2,4,5-Trimethoxypropen-1-ylbenzene(Z)-1,2,4-Trimethoxy-5-(1-propenyl)benzene
名称をさらに表示
cis-アサロン(Z)-アサロン(Z)-1-(2,4,5-トリメトキシフェニル)-1-プロペン1,2,4-トリメトキシ-5-[(Z)-1-プロペニル]ベンゼンβ-アサロン1-[(Z)-1-プロペニル]-2,4,5-トリメトキシベンゼンΒ‐アサロン1,2,4-トリメトキシ-5-[(1Z)-プロパ-1-エン-1-イル]ベンゼンβ-AsaroneB-ASARONEC10430ASARONE, B-β-Asarone-RMCis-β-asarone
Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-BENZENE, 1,2,4-TRIMETHOXY-5-PROPENYL-, (Z)-1,2,4-trimethoxy-5-propenylbenzene, z-CHEBI:10353DTXCID00911420DTXSID6010200571,2,4-trimethoxy-5-((Z)-prop-1-enyl)benzeneRefChem:29765

データベース識別子

CAS
5273-86-9
PubChem CID
5281758
DTXSID
DTXSID601020057
ChEMBL
CHEMBL477752
ChEBI
CHEBI:78308
UNII
IGA3MH6IUW
EC Number
226-096-6
Nikkaji
J236.255D

物性

構造計算による物性

XLogP
3
極性表面積
27.7 Ų
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

実験および物理化学的性質

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

物理化学的性質

沸点
296 ℃ · 296℃
比重(密度)
1.073 g/mL · 1.073 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.558(lit.)
闪点
230 °F · >230 °F
貯蔵温度
-20 °C · -20°C
溶解性
クロロホルム(微量)、メタノール(微量)

化学的性質

化学的特性Crystals. Insoluble in water; soluble in alcohol.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 168 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk
3
rtecs
DC3000000
毒性
cyt-hmn-lym 107 mg/L PLMEAA 53,251,87
hs_code
29093090
risk_code
22
消防法
危-4-3-III

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN.

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:; α-Asarone; trans-Asarone; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-; trans-Isoasarone; 5273-86-9:; ß-Asarone; cis-ß-Asarone; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-; cis-Isoasarone

IFRA_STD_110.pdf

40

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

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

応用分野

使用Grain fumigant, insect chemisterilant.

一般的な説明cis-2,4,5-Trimethoxy-1-propenylbenzene is an antibiotic and was isolated from the extract of Acorus gramineus using various chromatographic procedures.

上流・下流製品情報

サプライヤー100 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]

補足説明

定義ChEBI: The cis-isomer of asarone.

関連反応

5 件

化合物ノート

読み込み中…

CAS 5273-86-9 Beta-Asarone (HCID 5281758)|化工社