2,2,2-Trichlor-1-phenylethylacetat

Rosacetol

HCID 7007CAS 90-17-5
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl
InChIKey
JKRWZLOCPLZZEI-UHFFFAOYSA-N
Summenformel
C10H9Cl3O2
Durchschnittliche Molmasse
267,5 g/mol
Monoisotopische Masse
265,96681257

Überblick

Alpha-Trichloromethylbenzyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.

Namen und Bezeichner

Bevorzugter Name
Rosacetol
IUPAC
(2,2,2-trichloro-1-phenylethyl) acetate
Lokaler Name
2,2,2-Trichlor-1-phenylethylacetat
Englischer Name
2,2,2-Trichloro-1-phenylethyl acetate
Summenformel
C10H9Cl3O2
Molmasse
267.53

Namen und Synonyme

2,2,2-Trichloro-1-phenylethyl acetate90-17-5RosacetolRose crystalsalpha-(Trichloromethyl)benzyl acetateRosephenoneTrichloromethylphenylcarbinyl acetateDTXSID2047725Trichlor phenyl methyl carbinyl acetateNSC 165582EINECS 201-972-0Trichloromethyl phenyl carbinyl acetate
Weitere Namen anzeigen
ROSALINrose acetateRose EsterBenzenemethanol, α-(trichloromethyl)-, acetateRosaliuROSATOL
BRN 2270144AI3-02454Benzenemethanol, .alpha.-(trichloromethyl)-, acetate4VE62Y0O29alpha-(Trichloromethyl)benzenemethanol acetatealpha-(Trichloromethyl)benzyl alcohol acetateTRICHLOROMETHYL BENZYL ACETATENSC-165582

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (Trichloromethyl phenyl carbinyl acetate) -> IFRA transparency List
Physical DescriptionCBI; Other Solid; Dry Powder; Liquid

Physikochemische Eigenschaften

Schmelzpunkt
86 · 86-89 °C(lit.)
Siedepunkt
282 °C · 282°C(lit.)
Dichte
1.3807 · 1.3807 (estimate)
Dampfdruck
0.13 Pa · 0.13Pa at 25℃
Löslichkeit
28.72 g/L · 28.72g/L in organic solvents at 20 ℃
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 13.8% (223 of 1616) of reports.

Warning

H315 (85.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1616 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzenemethanol, .alpha.-(trichloromethyl)-, acetate

Benzenemethanol, .alpha.-(trichloromethyl)-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, .alpha.-(trichloromethyl)-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 2,2,2-trichloro-1-phenylethyl acetate (EC: 201-972-0)

Benzenemethanol, .alpha.-(trichloromethyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (85.1%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
2915.39.2000
RTECS-Nr.
AJ8375000
Toxizität
LD50 orl-rat: 6800 mg/kg FCTXAV 13,681,75
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesOther
Industry UsesOther
Household ProductsInformation on 17 consumer products that contain Trichloromethyl Phenyl Carbinyl Acetate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2 Einträge

Not Known or Reasonably Ascertainable

Benzenemethanol, .alpha.-(trichloromethyl)-, 1-acetate: ACTIVE

Anwendungen

OccurrenceHas apparently not been reported to occur in nature.

VerwendenPerfumes, fixative for essential oils and perfumes.

Darstellung

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]

Zugehörige Reaktionen

0
Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Verknüpfte Notizen

Wird geladen…