3'-Allyl-4'-hydroxyacetophenone
Grundinformationen
- CAS
1132-05-4- Standard-SMILES
C=CCc1cc(C(C)=O)ccc1O- InChIKey
XVTCWUFLNLZPEJ-UHFFFAOYSA-N- Summenformel
- C11H12O2
- Durchschnittliche Molmasse
- 176,21 g/mol
- Monoisotopische Masse
- 176,08372962
Namen und Bezeichner
- Bevorzugter Name
- 3'-Allyl-4'-hydroxyacetophenone
- IUPAC
- 1-(4-hydroxy-3-prop-2-enylphenyl)ethanone
- Englischer Name
- 3'-ALLYL-4'-HYDROXYACETOPHENONE
- Summenformel
- C11H12O2
- Molmasse
- 176.21
Namen und Synonyme
1132-05-43'-Allyl-4'-hydroxyacetophenoneAcetophenone, 3'-allyl-4'-hydroxy-3-Allyl-4-hydroxy-acetophenon3-Allyl-4-hydroxy-acetophenoneDTXSID60293476Ethanone, 1-(4-hydroxy-3-(2-propenyl)phenyl)-Ethanone, 1-[4-hydroxy-3-(2-propenyl)phenyl]-RefChem:90297DTXCID70244616625-173-5XVTCWUFLNLZPEJ-UHFFFAOYSA-N
Weitere Namen anzeigen
3′-Allyl-4′BUTTPARK 94\04-784-ACETYL-2-ALLYLPHENOL4-(4,5-dichloro-1-imidazolyl)aniline
1-(3-Allyl-4-hydroxyphenyl)ethanone1-(4-hydroxy-3-prop-2-enylphenyl)ethanone3-allyl-4-hydroxyacetophenone1-(3-Allyl-4-hydroxyphenyl)ethan-1-one3/'-Allyl-4/'-hydroxyacetophenoneMFCD000680151-[4-hydroxy-3-(prop-2-en-1-yl)phenyl]ethan-1-one3 inverted exclamation marka-Allyl-4 inverted exclamation marka-hydroxyacetophenone
Datenbank-Bezeichner
- CAS
1132-05-4- PubChem CID
- 259653
- DTXSID
DTXSID60293476- EC Number
- 625-173-5
- Nikkaji
- J954.877G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 198
Physikochemische Eigenschaften
- Schmelzpunkt
- 115 · 115-119 °C (lit.)
- Siedepunkt
- 200 · 200-201 °C(Press: 21 Torr)
- Dichte
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- pka
- 8.5 · 8.50±0.18(Predicted)
- Aggregatzustand
- powder
- Farbe
- Pale yellow amorphous
- InChI
- 1S/C11H12O2/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-7,13H,1,4H2,2H3
- InChIKey
- XVTCWUFLNLZPEJ-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(O)c(CC=C)c1
- CAS Datenbank
- 1132 · 1132-05-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesEye Dam. 1 (97.5%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2914500090
- risk_code
- 41
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1
Chemie und Industrie
Darstellung
synthetischePreparation by thermal Claisen rearrangement of 4-(allyloxy)acetophenone, in boiling N,N-dimethylaniline ; in diphenyl ether at 185° or at reflux (76%) without solvent at 200–210° (78%), at 200–230°(96%) or at 260–270° (64%).
Anbieter19 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海源叶生物科技有限公司
Zugehörige Reaktionen
4
Notizen zur Verbindung
Wird geladen…