로즈페논

2,2,2-Trichloro-1-phenylethyl acetate

HCID 7007CAS 90-17-5

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기본 정보

표준 SMILES
CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl
InChIKey
JKRWZLOCPLZZEI-UHFFFAOYSA-N
분자식
C10H9Cl3O2
평균 분자량
267.539 g/mol
단동위원소 질량
265.96681257

이름 및 식별자

우선 이름
2,2,2-Trichloro-1-phenylethyl acetate
IUPAC
2,2,2-Trichloro-1-phenylethyl acetate
현지명
로즈페논
영어명
2,2,2-Trichloro-1-phenylethyl acetate
분자식
C10H9Cl3O2
분자량
267.53

이름 및 동의어

로즈페논2,2,2-트리클로로-1-페닐에틸아세테이트ROSALINRosephenoneROSE CRYSTALSRosacetolrose acetateRose EsterBenzenemethanol, α-(trichloromethyl)-, acetateBenzenemethanol, .alpha.-(trichloromethyl)-, acetateRosaliuROSATOL

데이터베이스 식별자

CAS
90-17-5
PubChem CID
7007
DTXSID
DTXSID2047725
ChEMBL
CHEMBL3183831
ChEBI
CHEBI:88586
UNII
4VE62Y0O29
EC Number
201-972-0
Nikkaji
J50.598F

물성

물리화학적 성질

녹는점
86 · 86-89 °C(lit.)
끓는 점
282 °C · 282°C(lit.)
밀도
1.3807 · 1.3807 (estimate)
증기압
0.13 Pa · 0.13Pa at 25℃
용해도
28.72 g/L · 28.72g/L in organic solvents at 20 ℃
물리적 상태
powder to crystal
화학적 성질 · 1건

2,2,2-Trichloro-1-phenylethyl acetate forms white crystals (mp 88 °C) and has a weak, very natural, lasting rose odor. The ester is prepared from -trichloromethylbenzyl alcohol, for example, by reaction with acetic anhydride. The alcohol can be prepared by one of the following methods: 1) Addition of trichloroacetaldehyde (chloral) to benzene in the presence of aluminum chloride. 2) Reaction of benzaldehyde with chloroform in the presence of potassium hydroxide. -Trichloromethylbenzyl acetate is a stable rose fragrancewith excellent fixative properties. It is preferentially used in soaps, powders, and bath salts.

안전 및 규제

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
AJ8375000
독성
LD50 orl-rat: 6800 mg/kg FCTXAV 13,681,75
HS 번호
2915.39.2000
기존화학 물질
KE-34079

화학 및 산업

응용 분야

출처Has apparently not been reported to occur in nature.

용도Perfumes, fixative for essential oils and perfumes.

제조 방법

By the reaction of benzene and chloral, in the presence of a catalyst, followed by acetylation.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

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