Terpinyl isobutyrate

CAS 7774-65-4C14H24O2MW 224.18 g/mol

Terpinyl isobutyrate（CAS 7774-65-4）：分子式 C14H24O2、分子量 224.18 g/mol。

产品概览

CAS号	7774-65-4
分子式	C14H24O2
分子量	224.18 g/mol
沸点	242.00 °C. @ 760.00 mm Hg
LogP	3.5
应用领域	Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Household Products: Information on 1 consumer products that contain Terpinyl Isobutyrate in the following categories is provided:、• Auto Products、General Manufacturing Information: Propanoic acid、2-methyl-、1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester: ACTIVE

应用领域

登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Household Products: Information on 1 consumer products that contain Terpinyl Isobutyrate in the following categories is provided:、• Auto Products、General Manufacturing Information: Propanoic acid、2-methyl-、1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester: ACTIVE。

技术档案

这个产品是什么

Terpinyl isobutyrate 是一种化工化合物，登记 CAS 号为 7774-65-4，分子式 C14H24O2（分子量 224.18 g/mol）。

识别信息

登记 CAS 号：7774-65-4

其分子式 C14H24O2 由 14 个碳、24 个氢、2 个氧组成。

别名/同义词：Terpinyl isobutyrate · 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate

常见问题

Terpinyl isobutyrate 的 CAS 号是多少？

Terpinyl isobutyrate 的 CAS 登记号为 7774-65-4。

Terpinyl isobutyrate 的分子式与分子量是多少？

分子式 C14H24O2，分子量 224.18 g/mol。

Terpinyl isobutyrate 还有哪些别名？

别名/同义词：Terpinyl isobutyrate、1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate。

Terpinyl isobutyrate 的登记用途是什么？

PubChem 公开数据

Terpinyl isobutyrate（CAS 7774-65-4）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 Number	7774-65-4
PubChem CID	522673
Molecular formula	C14H24O2
Molecular weight	224.18 g/mol
IUPAC name	2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate
InChIKey	SMQUXKIIXFOJKI-UHFFFAOYSA-N
UNII (FDA)	Z55SZR66DG
ChEBI ID	CHEBI:171786
FEMA number	3050
JECFA number	371

计算分子描述符

Molecular Weight	224.34
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	224.177630004
Monoisotopic Mass	224.177630004
Topological Polar Surface Area	26.3
Heavy Atom Count	16

在册的理化数值

Boiling Point	242.00 °C. @ 760.00 mm Hg
Boiling Point	242 °C
Density	0.931-0.942
Refractive Index	1.457-1.463

在册的记载用途

同义词与商品名

Terpinyl isobutyrate; 7774-65-4; 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate; FEMA No. 3050; P-Menth-1-en-8-yl isobutyrate; .alpha.-Terpinyl isobutyrate; alpha-terpinyl isobutyrate; Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester; UNII-Z55SZR66DG; EINECS 231-878-5; Z55SZR66DG; BRN 3129659; p-menth-1-en-8-yl-isobutyrate; 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate; .alpha.-Terpinyl ester of isobutanoic acid; DTXSID50864114

已收录的法规名录

Regulatory & Food Contact	EU 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 summary	7.3% (103 / 1413)

GHS 危害分类

GHS notification summary	7.3% (103 / 1413)
Reported hazard statements	H315 (92.7%), H319 (92.7%)

This chemical does not meet GHS hazard criteria for 7.3% (103 of 1413) of reports.

H315 (92.7%): Causes skin irritation [Warning Skin corrosion/irritation]

公开数据库对它的描述

Terpinyl isobutyrate is identified by CAS 7774-65-4, molecular formula C14H24O2 and molecular weight 224.18 g/mol. UNII Z55SZR66DG; ChEBI 171786; InChIKey SMQUXKIIXFOJKI-UHFFFAOYSA-N. Boiling Point: 242.00 °C. @ 760.00 mm Hg; Boiling Point: 242 °C; Density: 0.931-0.942.

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。