Cinnamic Acid Isopropyl Ester

HCID 24521CAS 7780-06-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)OC(=O)C=Cc1ccccc1
InChIKey: RGACABDFLVLVCT-UHFFFAOYSA-N
분자식: C12H14O2
평균 분자량: 190.24 g/mol
단동위원소 질량: 190.09937969

개요

Isopropyl cinnamate has been reported in Kaempferia galanga with data available.

이름 및 식별자

우선 이름: Cinnamic Acid Isopropyl Ester
IUPAC: propan-2-yl 3-phenylprop-2-enoate
영어명: Isopropyl cinnamate, 98
분자식: C12H14O2
분자량: 190.24

이름 및 동의어

Cinnamic Acid Isopropyl Esterpropan-2-yl 3-phenylprop-2-enoateRefChem:1081741isopropyl 3-phenylprop-2-enoateIsopropylcinnamateIsopropyl cinnamate, 98%SCHEMBL133105RGACABDFLVLVCT-UHFFFAOYSA-NAKOS017265329SB66426DB-002762C1779

이름 더 보기

Isopropyl cinnamateISOPROIsopropylester kyseliny skoricoveIsopropylcinnamatISPROPYLCINNAMATEIsopropyl ciamateIsopropyl cinmateISOPROPYL CINMATE, 98Cinnamic acid isopropyl

데이터베이스 식별자

CAS: 7780-06-5
PubChem CID: 24521
DTXSID: DTXSID3064809

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 200

물리화학적 성질

녹는점: 39 °C · 39 °C
끓는 점: 273 °C · 273 °C(lit.)
밀도: 1.02 g/mL · 1.02 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.546(lit.)
FEMA: 2939 · 2939 | ISOPROPYL CINNAMATE
인화점: 230 °F · >230 °F
저장 조건: Store at room temperature
물리적 상태: 액체
색상: 맑은 노란색
냄새: 100 %에서 · 100.00%에서. 발삼 프루티 트로피컬 신나밀베리 딸기복숭아
냄새 유형: 발사믹
생물학적 소스: synthetic
JECFA Number: 661 · 661
BRN: 1908938 · 1908938
주요 응용: 향료 및 향
화장품 원료 기능: 향수
InChI: 1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKey: RGACABDFLVLVCT-CMDGGOBGSA-N
SMILES: CC(C)OC(=O)\C=C\c1ccccc1
LogP: 3.06 · 3.06
NIST: 2 · 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester(7780-06-5)
EPA: 2 · 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester (7780-06-5)

화학적 성질

Clear yellow liquid, Insoluble in water, soluble in alcohol and oils. Tends to polymerize, and will become opaque, more viscous or it will jellify, and eventually become odorless.

안전 및 규제

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: GD9625000
HS 번호: 29163990
safety_code: 24/25-22
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 3건

개요Isopropyl cinnamate has a balsamic, sweet, dry amber-like odor and a fresh, fruity flavor. May be synthesized by esterification of isopropanol with cinnamic acid.

용도Isopropyl cinnamate can be used as a perfuming agent in cosmetics and as a flavoring ingredient in food industries.

일반 설명Isopropyl cinnamate can be used as a flavoring and fragrance ingredient. It is one of the key constituents of the essential oil of Fortunella crassifolia peel. Isopropyl cinnamate shows promising potential as a mosquito repellant and as antifeedant for the pine weevil.

제조 방법

By esterification of isopropanol with cinnamic acid

공급사50 곳

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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