Geranyl phenylacetate

HCID 5366044CAS 102-22-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)=CCC/C(C)=C/COC(=O)Cc1ccccc1
InChIKey: UXAIJXIHZDZMSK-FOWTUZBSSA-N
분자식: C18H24O2
평균 분자량: 272.4 g/mol
단동위원소 질량: 272.17763001

개요

Geranyl phenylacetate is a carboxylic ester.

이름 및 식별자

우선 이름: Geranyl phenylacetate
IUPAC: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate

이름 및 동의어

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)-

이름 더 보기

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)-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 8
무거운 원자 수: 20
형식 전하: 0
복잡도: 342

실험 및 물리화학적 성질

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 · 2건

Insoluble in water; soluble in oils

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

Boiling Point307-308 °C

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 4건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

화학 및 산업

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index