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紫罗兰酮

CAS 127-41-3C13H20OMW 192.30主营产品

紫罗兰酮(CAS 127-41-3):分子式 C13H20O、分子量 192.30。

产品概览

CAS号127-41-3
分子式C13H20O
分子量192.30
沸点258 °C at 760 mm Hg
LogPlog Kow = 3.85

技术档案

这个产品是什么

紫罗兰酮 是一种化工化合物,登记 CAS 号为 127-41-3,分子式 C13H20O(分子量 192.30)。

识别信息

登记 CAS 号:127-41-3

其分子式 C13H20O 由 13 个碳、20 个氢、1 个氧 组成。

别名/同义词:紫罗兰酮 · Alpha-Ionone

常见问题

紫罗兰酮 的 CAS 号是多少?

紫罗兰酮 的 CAS 登记号为 127-41-3。

紫罗兰酮 的分子式与分子量是多少?

分子式 C13H20O,分子量 192.30。

紫罗兰酮 还有哪些别名?

别名/同义词:紫罗兰酮、Alpha-Ionone。

PubChem 公开数据

紫罗兰酮(CAS 127-41-3)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number127-41-3
PubChem CID5282108
Molecular formulaC13H20O
Molecular weight192.15 g/mol
IUPAC name(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
InChIKeyUZFLPKAIBPNNCA-BQYQJAHWSA-N
UNII (FDA)I9V075M61R
ChEBI IDCHEBI:32319
FEMA number2594
JECFA number388

计算分子描述符

Molecular Weight192.30
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass192.151415257
Monoisotopic Mass192.151415257
Topological Polar Surface Area17.1
Heavy Atom Count14

在册的理化数值

Boiling Point258 °C at 760 mm Hg
Boiling Point237 °C
Flash Point118 °C (244 °F) - closed cup
SolubilityIn water, 106 mg/L at 25 °C
Density0.9319 at 20/4 °C
Density0.927-0.933
LogPlog Kow = 3.85
Refractive Index1.497-1.502

在册的记载用途

    Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8259]Fragrance ingredient in perfumery, in cosmetics and personal care products, in household cleaners and detergents. Flavoring agent in beverages, baked goods, and candies.

    同义词与商品名

    ALPHA-IONONE; 127-41-3; (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one; (E)-alpha-Ionone; trans-alpha-Ionone; alpha-(E)-ionone; alpha-Ionon; (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one; FEMA No. 2594; alpha-Cyclocitrylideneacetone; DTXSID0035160; I9V075M61R; DTXCID8015160; CHEBI:32319; (E)-(1)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one; (E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE

    已收录的法规名录

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Violet, Wood
    JECFA ADI: 0-0.1 mg/kg bw (1984)

    GHS 危害分类

    Reported hazard statementsH315, H317, H334

    Reported as not meeting GHS hazard criteria by 1609 of 1789 companies

    Aggregated GHS information provided per 1789 reports by companies from 10 notifications to the ECHA C&L Inventory.

    公开数据库对它的描述

    Alpha-Ionone is identified by CAS 127-41-3, molecular formula C13H20O and molecular weight 192.15 g/mol. UNII I9V075M61R; ChEBI 32319; InChIKey UZFLPKAIBPNNCA-BQYQJAHWSA-N. Boiling Point: 258 °C at 760 mm Hg; Boiling Point: 237 °C; Flash Point: 118 °C (244 °F) - closed cup.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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