プロピオン酸2-(4-メチル-3-シクロヘキセニル)プロパン-2-イル

Terpinyl propionate

HCID 62328CAS 62395-45-3
部分構造検索類似構造を探す

基本情報

標準SMILES
CCC(=O)OC(C)(C)C1CC=C(C)CC1
InChIKey
CMKQOKAXUWQAHG-UHFFFAOYSA-N
分子式
C13H22O2
平均分子量
210.31 g/mol
単同位体質量
210.16197994

概要

Alpha-Terpineol propanoate is a p-menthane monoterpenoid.

名称と識別子

優先名称
Terpinyl propionate
IUPAC
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate
現地名
プロピオン酸2-(4-メチル-3-シクロヘキセニル)プロパン-2-イル
英語名
TERPINYL PROPIONATE
分子式
C13H22O2
分子量
210.31

名称と別名

Terpinyl propionatealpha-Terpinyl propionateTerpineol propionateTerpineol, propanoatep-Menthanyl propionatep-Menth-1-en-8-yl propionatep-Menth-1-en-8-yl propanoatePropionic acid, terpineol ester.alpha.-Terpinyl propionateFEMA No. 305362395-45-3DTXSID3044833
名称をさらに表示
プロピオン酸p-メンタ-1-エン-8-イルプロピオン酸α-テルピニルα,α,4-トリメチル-3-シクロヘキセン-1-メタノールプロパノアートプロピオン酸2-(4-メチル-3-シクロヘキセニル)プロパン-2-イルテルピニルプロピオネ-トプロピオン酸テルピニルFEMA 30533-Cyclohexene-1-methanol,.alpha.,.alpha.,4-trimethyl-,propanoateTerpenyl propionateTerpinyl n-propionatea-Terpinyl propionateALPHA-TERPINYLPROPIONATETerpinyl propionate esterp-Menth-1-en-8-ylpropionat
EINECS 201-266-2EINECS 263-530-37JE9M43B3KAI3-243773-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, PROPANOATEalpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate3GKH6X9TE3MENTHEN-1-YL-8-ATE

データベース識別子

CAS
62395-45-3、80-27-3
PubChem CID
62328
DTXSID
DTXSID3044833
ChEMBL
CHEMBL3188389
ChEBI
CHEBI:174065
UNII
7JE9M43B3K
EC Number
201-266-2、263-530-3
Nikkaji
J141.005I

物性

構造計算による物性

XLogP
2.9
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
4
重原子数
15

実験および物理化学的性質

FragrancesFragrance Ingredient (Terpinyl propionate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.947-0.952
Flavoring AgentsEU Flavoring substances
Solubility · 2 件

soluble in glycerol; slightly soluble in propylene glycol; insoluble in water; miscible with alcohol, chloroform, ether, most fixed oils

1 ml in 2 ml 80% alcohol (in ethanol)

Boiling Point · 2 件

274.00 to 275.00 °C. @ 760.00 mm Hg

240 °C

物理化学的性質

沸点
240 °C · 240 °C(lit.)
比重(密度)
0.949 g/mL · 0.949 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.464(lit.)
FEMA
3053 · 3053 | TERPINYL PROPIONATE
闪点
71 °C · 71 °C
溶解性
Practically insoluble in water, soluble in alcohol and oils

化学的性質

化学的特性Terpinyl propionate has a somewhat floral, lavender note with a bitter flavor

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 98.9% (92 of 93) of all reports.

Not Classified

Aggregated GHS information provided per 93 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate

Chemical: Terpineol, propanoate

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 件

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

IMAP assessments - 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Environment tier I assessment

Hazard Classes and CategoriesNot Classified

安全データ

wgk
2
tsca
TSCA listed
毒性
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
消防法
危-4-3-III

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

Use Classification · 5 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 件

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-propanoate: ACTIVE

Terpineol, propanoate: INACTIVE

応用分野 · 2 件

天然物の起源Reported found in citrus fruit and celery; also the racemic form (dl) has been identified in cardamom.

使用Alpha-Terpineol propanoate has acquired fame as a modifier for Lavender and Bergamot but it is really no match for Linalyl acetate or Ethyl Iinalyl acetate except that the Terpinyl propionate is very stable in alkaline media. It is therefore often used in soap, where its low cost is also appreciated. It finds a little use in fruit complex flavor compositions, mainly in Citrus fruits, Lime, Spice (Cardamom) etc. The concentration will be about 1 to 10 ppm in the finished product.

調製方法

製造方法By esterification of terpineols.

上流・下流製品情報

下流製品

サプライヤー18 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

関連ノート

読み込み中…