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1-Octen-3-yl butyrate

CAS 16491-54-6C12H22O2MW 198.16 g/mol

1-Octen-3-yl butyrate（CAS 16491-54-6）：分子式 C12H22O2、分子量 198.16 g/mol。

产品概览

CAS号16491-54-6
分子式C12H22O2
分子量198.16 g/mol
沸点225.00 to 227.00 °C. @ 760.00 mm Hg
LogP4
应用领域Use Classification: Flavouring Agent -> -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、1-ethenylhexyl ester: ACTIVE

应用领域

登记用途：Use Classification: Flavouring Agent -> -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、1-ethenylhexyl ester: ACTIVE。

技术档案

这个产品是什么

1-Octen-3-yl butyrate 是一种化工化合物，登记 CAS 号为 16491-54-6，分子式 C12H22O2（分子量 198.16 g/mol）。

识别信息

登记 CAS 号：16491-54-6

其分子式 C12H22O2 由 12 个碳、22 个氢、2 个氧 组成。

别名/同义词：1-Octen-3-yl butyrate · 1-Octen-3-ylbutyrate

常见问题

1-Octen-3-yl butyrate 的 CAS 号是多少？

1-Octen-3-yl butyrate 的 CAS 登记号为 16491-54-6。

1-Octen-3-yl butyrate 的分子式与分子量是多少？

分子式 C12H22O2，分子量 198.16 g/mol。

1-Octen-3-yl butyrate 还有哪些别名？

别名/同义词：1-Octen-3-yl butyrate、1-Octen-3-ylbutyrate。

1-Octen-3-yl butyrate 的登记用途是什么？

登记用途：Use Classification: Flavouring Agent -> -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、1-ethenylhexyl ester: ACTIVE。

PubChem 公开数据

1-Octen-3-yl butyrate（CAS 16491-54-6）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 Number16491-54-6
PubChem CID27892
Molecular formulaC12H22O2
Molecular weight198.16 g/mol
IUPAC nameoct-1-en-3-yl butanoate
InChIKeyLZWFXVJBIZIHCH-UHFFFAOYSA-N
UNII (FDA)H8J989X4KJ
ChEBI IDCHEBI:169568
FEMA number3612
JECFA number1837

计算分子描述符

Molecular Weight198.30
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass198.161979940
Monoisotopic Mass198.161979940
Topological Polar Surface Area26.3
Heavy Atom Count14

在册的理化数值

Boiling Point225.00 to 227.00 °C. @ 760.00 mm Hg
Boiling Point80-81 °C (3.5 mm Hg)
Density0.870-0.879
Refractive Index1.423-1.428

在册的记载用途

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

    同义词与商品名

    1-Octen-3-yl butyrate; 16491-54-6; 1-Pentylallyl butyrate; 1-Vinylhexyl butyrate; Butanoic acid, 1-ethenylhexyl ester; Butyric acid, 1-pentylallyl ester; FEMA No. 3612; BUTYRIC ACID, 1-VINYLHEXYL ESTER; H8J989X4KJ; DTXSID80864682; RefChem:1056141; DTXCID80813170; 240-555-8; oct-1-en-3-yl butanoate; 1-Ethenylhexyl butanoate; 1-Octen-3-ol butyrate

    已收录的法规名录

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    No safety concern at current levels of intake when used as a flavouring agent
    ">RS 952-JECFA 69/93
    ">FAS 60-JECFA 69/622
    GHS notification summary100% (1422 / 1422)

    GHS 危害分类

    GHS notification summary100% (1422 / 1422)

    This chemical does not meet GHS hazard criteria for 100% (1422 of 1422) of all reports.

    Reported as not meeting GHS hazard criteria by 1422 of 1422 companies. For more detailed information, please visit ECHA C&L website.

    公开数据库对它的描述

    1-Octen-3-yl butyrate is identified by CAS 16491-54-6, molecular formula C12H22O2 and molecular weight 198.16 g/mol. UNII H8J989X4KJ; ChEBI 169568; InChIKey LZWFXVJBIZIHCH-UHFFFAOYSA-N. Boiling Point: 225.00 to 227.00 °C. @ 760.00 mm Hg; Boiling Point: 80-81 °C (3.5 mm Hg); Density: 0.870-0.879.

    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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