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甲基庚烯酮

CAS 110-93-0C8H14OMW 126.20主营产品

甲基庚烯酮(CAS 110-93-0):分子式 C8H14O、分子量 126.20。

产品概览

CAS号110-93-0
分子式C8H14O
分子量126.20
熔点FP: -67.1 °C
沸点173 °C @ 760 MM HG
LogP1.9

技术档案

这个产品是什么

甲基庚烯酮 是一种化工化合物,登记 CAS 号为 110-93-0,分子式 C8H14O(分子量 126.20)。

识别信息

登记 CAS 号:110-93-0

其分子式 C8H14O 由 8 个碳、14 个氢、1 个氧 组成。

别名/同义词:甲基庚烯酮 · 6-Methyl-5-hepten-2-one

常见问题

甲基庚烯酮 的 CAS 号是多少?

甲基庚烯酮 的 CAS 登记号为 110-93-0。

甲基庚烯酮 的分子式与分子量是多少?

分子式 C8H14O,分子量 126.20。

甲基庚烯酮 还有哪些别名?

别名/同义词:甲基庚烯酮、6-Methyl-5-hepten-2-one。

PubChem 公开数据

甲基庚烯酮(CAS 110-93-0)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 Number110-93-0
PubChem CID9862
Molecular formulaC8H14O
Molecular weight126.10 g/mol
IUPAC name6-methylhept-5-en-2-one
InChIKeyUHEPJGULSIKKTP-UHFFFAOYSA-N
UNII (FDA)448353S93V
ChEBI IDCHEBI:16310
FEMA number2707
JECFA number1120

计算分子描述符

Molecular Weight126.20
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass126.104465066
Monoisotopic Mass126.104465066
Topological Polar Surface Area17.1
Heavy Atom Count9

在册的理化数值

Boiling Point173 °C @ 760 MM HG
Boiling Point72.00 to 73.00 °C. @ 18.00 mm Hg
Boiling Point173.1 °C
Melting PointFP: -67.1 °C
Melting Point-67 °C
Flash Point135 °F (57 °C)
Solubility3351 /mg/L @ 20 °C (exp)
Density0.8546 @ 16 °C/4 °C
Density0.846-0.854
Vapor Density4.35 (AIR= 1)

在册的记载用途

    Found in oil of lemon grass; Used in organic synthesis and in perfumes and flavoring; [Hawley]Used as flavor enhancer; [FDA] Used mainly for chemical synthesis (closed systems); Also used in cleaning agents and as a flavor or aroma additive in cosmetics and food; [OECD SIDS]

    同义词与商品名

    6-METHYL-5-HEPTEN-2-ONE; 6-Methylhept-5-en-2-one; 110-93-0; Sulcatone; METHYL HEPTENONE; 5-HEPTEN-2-ONE, 6-METHYL-; 2-Oxo-6-methylhept-5-ene; FEMA No. 2707; DTXSID5021629; NSC-15294; DTXCID501629; CHEBI:16310; RefChem:818618; DTXSID9027152; 203-816-7; Methylheptenone

    已收录的法规名录

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVOR ENHANCER
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Citrus, Mushroom, Pepper, Rubber, Strawberry
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary0.1% (1 / 1601)

    GHS 危害分类

    GHS notification summary0.1% (1 / 1601)
    Reported hazard statementsH226 (100%), H319 (74.4%), H302 (83.5%), H315 (83.8%), H317 (85.3%), H320, H336

    H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

    H319 (74.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

    公开数据库对它的描述

    6-Methyl-5-hepten-2-one is identified by CAS 110-93-0, molecular formula C8H14O and molecular weight 126.10 g/mol. UNII 448353S93V; ChEBI 16310; InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N. Boiling Point: 173 °C @ 760 MM HG; Boiling Point: 72.00 to 73.00 °C. @ 18.00 mm Hg; Boiling Point: 173.1 °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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