exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat

Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate

HCID 6950273CAS 125-12-2
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIKey
KGEKLUUHTZCSIP-JBLDHEPKSA-N
Summenformel
C12H20O2
Durchschnittliche Molmasse
196,29 g/mol
Monoisotopische Masse
196,14632988

Überblick

(1R,2S,4R)-bornyl acetate has been reported in Pinus densiflora, Tanacetum parthenium, and Abies sibirica with data available.

Namen und Bezeichner

Bevorzugter Name
Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
IUPAC
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Lokaler Name
exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat
Englischer Name
Isobornyl acetate
Summenformel
C12H20O2
Molmasse
196.29

Namen und Synonyme

[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetateexo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetateexo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate((1S,2S,4S)-1,7,7-trimethyl-2-bicyclo(2.2.1)heptanyl) acetateRefChem:596978MFCD00135943rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetateIsobornyl acetate, >=95%Isobornyl acetate, tech gradeIsobornyl acetate; NSC 62486; Pichtosine; exo-Bornyl acetate(1S)-2-exo-acetoxy-bornaneSCHEMBL117759
Weitere Namen anzeigen
IsobornylPichtosineIsomethyl lononeFEMA 2160Pichtosin2-CAMPHANYL ACETATED,L-ISOBORNYL ACETATE1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetateNsc62486
( not+/-)-Isobornyl acetateKGEKLUUHTZCSIP-JBLDHEPKSA-NHY-N2583Tox21_303558AKOS006281613NCGC00257423-01CAS-125-12-2CS-0022924

Datenbank-Bezeichner

CAS
125-12-2
PubChem CID
6950273
DTXSID
DTXSID7042061
EC Number
204-727-6
Nikkaji
J232.198J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,3
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt
29 °C · 29°C
Siedepunkt
229 · 229-233 °C (lit.)
Dichte
0.983 g/mL · 0.983 g/mL at 25 °C (lit.)
Dampfdruck
0.13 hPa · 0.13 hPa (20 °C)
FEMA
2160 · 2160 | ISOBORNYL ACETATE
Brechungsindex
20 · n20/D 1.4635(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 98.4% (1857 of 1887) of all reports.

Not Classified

Aggregated GHS information provided per 1887 reports by companies from 7 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationREACH registered substance: Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate (EC: 204-727-6)
Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29153900
RTECS-Nr.
NP7350000
risk_code
36/37/38-38
Toxizität
LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 20000 mg/kg

Chemie und Industrie

Anwendungen

OccurrenceReported found in thymus, Parmesan cheese, dill herb, Ocimum basilicum, rosemary and custard apple

VerwendenIsobornyl acetate is one of the most important chemicals used in the perfumery industry. It is used in toiletries and soaps as a flavoring agent and antiseptics. One of main applications is as an intermediate to produce camphor.

Darstellung · 1 Eintrag

synthetischeIsobornyl Acetate is prepared by treatment of camphene with acetic acid, usually in the presence of a catalyst; also by acetylation of isoborneol; depending on the starting material (d-camphene or l-camphene), the resulting acetate may exhibit slight optical activity; the commercial product is considered to be optically inactive.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

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