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Dimethyl benzyl carbinyl butyrate

CAS 10094-34-5C14H20O2MW 220.15 g/mol

Dimethyl benzyl carbinyl butyrate(CAS 10094-34-5):分子式 C14H20O2、分子量 220.15 g/mol。

产品概览

CAS号10094-34-5
分子式C14H20O2
分子量220.15 g/mol
沸点253.00 to 255.00 °C. @ 760.00 mm Hg
LogP3.5

技术档案

这个产品是什么

Dimethyl benzyl carbinyl butyrate 是一种化工化合物,登记 CAS 号为 10094-34-5,分子式 C14H20O2(分子量 220.15 g/mol)。

识别信息

登记 CAS 号:10094-34-5

其分子式 C14H20O2 由 14 个碳、20 个氢、2 个氧 组成。

别名/同义词:Dimethyl benzyl carbinyl butyrate · Benzyldimethylcarbinyl butyrate

常见问题

Dimethyl benzyl carbinyl butyrate 的 CAS 号是多少?

Dimethyl benzyl carbinyl butyrate 的 CAS 登记号为 10094-34-5。

Dimethyl benzyl carbinyl butyrate 的分子式与分子量是多少?

分子式 C14H20O2,分子量 220.15 g/mol。

Dimethyl benzyl carbinyl butyrate 还有哪些别名?

别名/同义词:Dimethyl benzyl carbinyl butyrate、Benzyldimethylcarbinyl butyrate。

PubChem 公开数据

Dimethyl benzyl carbinyl butyrate(CAS 10094-34-5)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 Number10094-34-5
PubChem CID24915
Molecular formulaC14H20O2
Molecular weight220.15 g/mol
IUPAC name(2-methyl-1-phenylpropan-2-yl) butanoate
InChIKeySHSGYHAHMQLYRB-UHFFFAOYSA-N
UNII (FDA)3Q0C60547R
ChEBI IDCHEBI:185847
FEMA number2394
JECFA number1656

计算分子描述符

Molecular Weight220.31
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass220.146329876
Monoisotopic Mass220.146329876
Topological Polar Surface Area26.3
Heavy Atom Count16

在册的理化数值

Boiling Point253.00 to 255.00 °C. @ 760.00 mm Hg
Boiling Point237-255 °C
Density0.960-0.971
Refractive Index1.484-1.489

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

    1,1-Dimethyl-2-phenylethyl butyrate; RefChem:588253; 10094-34-5; Butanoic acid, 1,1-dimethyl-2-phenylethyl ester; Dimethylbenzylcarbinyl butyrate; Benzyldimethylcarbinyl butyrate; alpha,alpha-Dimethylphenethyl butyrate; Dimethyl benzyl carbinyl butyrate; Dmbc butyrate; 2-Benzyl-2-propyl butyrate; Benzyl dimethylcarbinyl butyrate; 1,1-Dimethyl-2-phenylethyl butanoate; Benzyl dimethylcarbinyl n-butyrate; FEMA No. 2394; Benzyl dimethyl carbinyl butyrate; (2-methyl-1-phenylpropan-2-yl) butanoate

    已收录的法规名录

    Regulatory & Food ContactFDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    FLAVOURING_AGENT: Flavouring Agent
    Flavoring Agents
    Floral
    No safety concern at current levels of intake when used as a flavouring agent
    TRS 947-JECFA68/
    GHS notification summary1.8% (37 / 2051)

    GHS 危害分类

    GHS notification summary1.8% (37 / 2051)
    Reported hazard statementsH411 (87.4%)

    This chemical does not meet GHS hazard criteria for 1.8% (37 of 2051) of reports.

    H411 (87.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

    公开数据库对它的描述

    Dimethyl benzyl carbinyl butyrate is identified by CAS 10094-34-5, molecular formula C14H20O2 and molecular weight 220.15 g/mol. UNII 3Q0C60547R; ChEBI 185847; InChIKey SHSGYHAHMQLYRB-UHFFFAOYSA-N. Boiling Point: 253.00 to 255.00 °C. @ 760.00 mm Hg; Boiling Point: 237-255 °C; Density: 0.960-0.971.

    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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