(S)-3-Hydroxy-3-phenylpropionic acid
Grundinformationen
- CAS
36567-72-3- Standard-SMILES
O=C(O)C[C@H](O)c1ccccc1- InChIKey
AYOLELPCNDVZKZ-QMMMGPOBSA-N- Summenformel
- C9H10O3
- Durchschnittliche Molmasse
- 166,17 g/mol
- Monoisotopische Masse
- 166,06299418
Namen und Bezeichner
- Bevorzugter Name
- (S)-3-Hydroxy-3-phenylpropionic acid
- IUPAC
- (3S)-3-hydroxy-3-phenylpropanoic acid
- Englischer Name
- (S)-3-HYDROXY-3-PHENYLPROPANOIC ACID
- Summenformel
- C9H10O3
- Molmasse
- 166.17
Namen und Synonyme
36567-72-3(3S)-3-hydroxy-3-phenylpropanoic acid(S)-3-Hydroxy-3-phenylpropionic acidCHEBI:51058RefChem:70417623-755-3(S)-3-HYDROXY-3-PHENYLPROPANOIC ACIDMFCD00145262(S)-(-)-3-Hydroxy-3-phenylpropionic acidSCHEMBL904490AYOLELPCNDVZKZ-QMMMGPOBSA-NDTXSID101289084
Weitere Namen anzeigen
(-)-3-Phenylhydracrylic acid(R)-β-Hydroxybenzenepropanoic acid(S)-3-Hydroxybenzenepropanoic acid.Benzenepropanoic acid, β-hydroxy-, (βS)-(S)-3-HYDROXY-3-PHENYLPROPANOIC ACID 99%(S)-3-Hydroxy-3-phenylpropanoic acid,99%
AKOS015894011(3S)-3-hydroxy-3-phenyl-propanoic acidAS-62947(S)-3-HYDROXY-3-PHENYLPROPANOICACIDCS-0225208ST50405541EN300-123114G29799
Datenbank-Bezeichner
- CAS
36567-72-3- PubChem CID
- 2735057
- DTXSID
DTXSID101289084- ChEBI
CHEBI:51058
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 150
Physikochemische Eigenschaften
- Schmelzpunkt
- 117 · 117-120 °C
- Siedepunkt
- 254.38 °C · 254.38°C (rough estimate)
- Dichte
- 1.1708 · 1.1708 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Needle-Like Crystals
- pka
- 4.25 · 4.25±0.10(Predicted)
- Farbe
- White to almost white
- BRN
- 3197773 · 3197773
- CAS Datenbank
- 36567 · 36567-72-3
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- hs_code
- 29181998
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Anbieter16 Anbieter
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海迪外化工科技有限公司021-61551100
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海伟括医药科技有限公司19272189127 13331882176
苏州卓欣雅科技有限公司18506228039 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…