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7,8-二氢紫罗兰酮

CAS 31499-72-6C13H22OMW 194.31主营产品

7,8-二氢紫罗兰酮(CAS 31499-72-6):分子式 C13H22O、分子量 194.31。

产品概览

CAS号31499-72-6
分子式C13H22O
分子量194.31
沸点234 °C
LogP2.8
应用领域Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Butanone、4-(2、6、6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE

应用领域

登记用途:Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Butanone、4-(2、6、6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE。

技术档案

这个产品是什么

7,8-二氢紫罗兰酮 是一种化工化合物,登记 CAS 号为 31499-72-6,分子式 C13H22O(分子量 194.31)。

识别信息

登记 CAS 号:31499-72-6

其分子式 C13H22O 由 13 个碳、22 个氢、1 个氧 组成。

别名/同义词:7,8-二氢紫罗兰酮 · 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one · Dihydro-Alpha-ionone

常见问题

7,8-二氢紫罗兰酮 的 CAS 号是多少?

7,8-二氢紫罗兰酮 的 CAS 登记号为 31499-72-6。

7,8-二氢紫罗兰酮 的分子式与分子量是多少?

分子式 C13H22O,分子量 194.31。

7,8-二氢紫罗兰酮 还有哪些别名?

别名/同义词:7,8-二氢紫罗兰酮、4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one、Dihydro-Alpha-ionone。

7,8-二氢紫罗兰酮 的登记用途是什么?

登记用途:Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Butanone、4-(2、6、6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE。

PubChem 公开数据

7,8-二氢紫罗兰酮(CAS 31499-72-6)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 Number31499-72-6
PubChem CID35821
Molecular formulaC13H22O
Molecular weight194.17 g/mol
IUPAC name4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
InChIKeyJHJCHCSUEGPIGE-UHFFFAOYSA-N
UNII (FDA)20P9Z50AR5
ChEBI IDCHEBI:191058
FEMA number3628
JECFA number393

计算分子描述符

Molecular Weight194.31
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass194.167065321
Monoisotopic Mass194.167065321
Topological Polar Surface Area17.1
Heavy Atom Count14

在册的理化数值

Boiling Point234 °C
Density0.919-0.927
Refractive Index1.476-1.482

在册的记载用途

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    同义词与商品名

    Dihydro-alpha-ionone; 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one; FEMA No. 3628; EINECS 250-657-4; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone; Dihydro-.alpha.-ionone; 2-BUTANONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-; alpha-Dihydroionone; .alpha.-7,8-Dihydroionone; UNII-20P9Z50AR5; .alpha.-Dihydroionone; 4-(2,2,6-Trimethyl-5-cyclohexen-1-yl)-2-butanone; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)butan-2-one; AI3-32481; 20P9Z50AR5; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl-2-butanone

    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
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary85.9% (237 / 276)

    GHS 危害分类

    GHS notification summary85.9% (237 / 276)
    Reported hazard statementsH315 (14.1%), H319 (14.1%), H335 (14.1%)

    This chemical does not meet GHS hazard criteria for 85.9% (237 of 276) of all reports.

    H315 (14.1%): Causes skin irritation [Warning Skin corrosion/irritation]

    公开数据库对它的描述

    Dihydro-Alpha-ionone is identified by CAS 31499-72-6, molecular formula C13H22O and molecular weight 194.17 g/mol. UNII 20P9Z50AR5; ChEBI 191058; InChIKey JHJCHCSUEGPIGE-UHFFFAOYSA-N. Boiling Point: 234 °C; Density: 0.919-0.927; Refractive Index: 1.476-1.482.

    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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English page: 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one

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