ベンゼン酢酸(E)-3,7-ジメチル-2,6-オクタジエニル

Geranyl phenylacetate

HCID 5366044
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基本情報

CAS
102-22-7
標準SMILES
CC(C)=CCC/C(C)=C/COC(=O)Cc1ccccc1
InChIKey
UXAIJXIHZDZMSK-FOWTUZBSSA-N
分子式
C18H24O2
平均分子量
272.4 g/mol
単同位体質量
272.17763001

概要

Geranyl phenylacetate is a carboxylic ester.

名称と識別子

優先名称
Geranyl phenylacetate
IUPAC
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
現地名
ベンゼン酢酸(E)-3,7-ジメチル-2,6-オクタジエニル
英語名
Geranyl phenylacetate
分子式
C18H24O2
分子量
272.38

名称と別名

Geranyl phenylacetate102-22-7Phenylacetic acid, geranyl esterGeranyl alpha-toluateGeranyl .alpha.-toluateFEMA No. 2516BENZENEACETIC ACID, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (E)-trans-3,7-Dimethyl-2,6-octadienyl phenylacetateEINECS 203-014-7NSC 147477BRN 5033401Acetic acid, phenyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
名称をさらに表示
ベンゼン酢酸(E)-3,7-ジメチル-2,6-オクタジエニルゲラニルフェニルアセテートFEMA 2516Geranyl α-toluateGeranylphenylacetatgeranylalpha-toluateGERANYL PHENYLACETATE FCCphenyl-aceticacigeranylesterGERANYL PHENYLACETATE USP/EP/BP
Benzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl esterAI3-2414862A4GG7D57Acetic acid, phenyl-, geranyl esterBenzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadienyl esterNSC-1474773,7-Dimethyl-2,6-octadienyl phenylacetate, (E)-3,7-Dimethyl-2,6-octadienyl benzeneacetate, (E)-

データベース識別子

CAS
102-22-7
PubChem CID
5366044
DTXSID
DTXSID1051513
ChEBI
CHEBI:173940
UNII
62A4GG7D57
EC Number
203-014-7
Nikkaji
J182.151B、J233.740A

物性

構造計算による物性

XLogP
5.1
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
8
重原子数
20

実験および物理化学的性質

FragrancesFragrance Ingredient (Geranyl phenylacetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.971-0.978
Flavoring AgentsEU Flavoring substances
Solubility · 2 件

Insoluble in water; soluble in oils

1 mL in 4 mL 90% ethanol (in ethanol)

Boiling Point307-308 °C

物理化学的性質

沸点
278 °C · 278 °C(lit.)
比重(密度)
0.972 g/mL · 0.972 g/mL at 25 °C(lit.)
蒸気圧
0.007 Pa · 0.007Pa at 25℃
FEMA
2516 · 2516 | GERANYL PHENYLACETATE
屈折率
20 · n20/D 1.509(lit.)
闪点
230 °F · >230 °F

化学的性質

化学的特性Geranyl phenylacetate has a honey- and rose-like odor.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (1596 of 1596) of all reports.

Not Classified

Aggregated GHS information provided per 1596 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzeneacetic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Cease Manufacture Update: 11-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20024

Benzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Simple esters of geraniol and nerol: Human health tier II assessment
Hazard Classes and CategoriesNot Classified

安全データ

wgk
2
tsca
TSCA listed
rtecs
CY1595900
毒性
Both the acute oral LD50 value in rats and the acute dermal UD 50 value in rabbits exceeded 5 g/kg (Russell, 1973).
ストレージクラス
12 - Non Combustible Liquids

化学と産業

用途と製造

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester: ACTIVE
応用分野 · 2 件

天然物の起源Has apparently not been reported to occur in nature.

使用Geranyl Phenylacetate is a flavoring agent that is a yellow liquid with an odor resembling honey and roses. miscible in alcohol, chloro- form, and ether, and insoluble in water, it may contain other iso- meric and closely related terpenic esters. it is obtained by chemical synthesis.

調製方法

製造方法By the esterification of geraniol with phenylacetyl chloride.

上流・下流製品情報

サプライヤー39 社

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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