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2-十一酮

CAS 112-12-9C11H22OMW 170.29主营产品

2-十一酮(CAS 112-12-9):分子式 C11H22O、分子量 170.29。

产品概览

CAS号112-12-9
分子式C11H22O
分子量170.29
熔点15 °C
沸点231.5 °C
LogP4.1

技术档案

这个产品是什么

2-十一酮 是一种化工化合物,登记 CAS 号为 112-12-9,分子式 C11H22O(分子量 170.29)。

识别信息

登记 CAS 号:112-12-9

其分子式 C11H22O 由 11 个碳、22 个氢、1 个氧 组成。

别名/同义词:2-十一酮 · 2-Undecanone

常见问题

2-十一酮 的 CAS 号是多少?

2-十一酮 的 CAS 登记号为 112-12-9。

2-十一酮 的分子式与分子量是多少?

分子式 C11H22O,分子量 170.29。

2-十一酮 还有哪些别名?

别名/同义词:2-十一酮、2-Undecanone。

PubChem 公开数据

2-十一酮(CAS 112-12-9)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 Number112-12-9
PubChem CID8163
Molecular formulaC11H22O
Molecular weight170.17 g/mol
IUPAC nameundecan-2-one
InChIKeyKYWIYKKSMDLRDC-UHFFFAOYSA-N
UNII (FDA)YV5DSO8CY9
ChEBI IDCHEBI:17700
FEMA number3093
JECFA number296

计算分子描述符

Molecular Weight170.29
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass170.167065321
Monoisotopic Mass170.167065321
Topological Polar Surface Area17.1
Heavy Atom Count12

在册的理化数值

Boiling Point231.5 °C
Boiling Point231.00 to 232.00 °C. @ 760.00 mm Hg
Boiling Point231-232 °C
Boiling Point223 °C @760 [mm Hg]
Melting Point15 °C
Melting Point12 °C
Flash Point192 °F (89 °C) (Closed cup)
Density0.8260 to 0.8263 at 20 °C/4 °C
Density0.822 -0.826
Density0.829 @ 30°C

在册的记载用途

    Used as a solvent in the production of vinyl resins, nitrocellulose, and synthetic rubber; as a flavoring agent; as a dog and cat repellent; [HSDB] Used to make some synthetic essential oils and as a fragrance in soaps, detergents, creams, lotions, and perfumes; [Merck Index] Used as a dog/cat repellent and iris borer deterrent; [Reference #1]Dog and cat repellent/training aid and iris borer deterrent.

    同义词与商品名

    2-Undecanone; Undecan-2-one; Methyl nonyl ketone; 112-12-9; 2-Hendecanone; Rue ketone; METHYL N-NONYL KETONE; Ketone, methyl nonyl; Nonyl methyl ketone; MGK Dog and Cat Repellent; FEMA No. 3093; DTXSID2021943; YV5DSO8CY9; NSC-4028; DTXCID301943; CHEBI:17700

    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
    Fresh, Green, Orange, Rose
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary15.2% (271 / 1781)

    GHS 危害分类

    GHS notification summary15.2% (271 / 1781)
    Reported hazard statementsH400 (84.3%)

    This chemical does not meet GHS hazard criteria for 15.2% (271 of 1781) of reports.

    H400 (84.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

    公开数据库对它的描述

    2-Undecanone is identified by CAS 112-12-9, molecular formula C11H22O and molecular weight 170.17 g/mol. UNII YV5DSO8CY9; ChEBI 17700; InChIKey KYWIYKKSMDLRDC-UHFFFAOYSA-N. Boiling Point: 231.5 °C; Boiling Point: 231.00 to 232.00 °C. @ 760.00 mm Hg; Boiling Point: 231-232 °C.

    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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