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HCID 64800Erstellt: 26. Oktober 2026

Benzenepropanoic acid, alpha-(phenylmethyl)-

2-Benzyl-3-phenylpropanoic acid · AKOS B023876 · Dibenzylacetic acid · Racecadotril Impurity M · α-Benzylhydrocinnamic acid · ALPHA-BENZYLHYDROCINNAMIC ACID · 2-BENZYL-3-PHENYLPROPANOIC ACID 97% · 3-phenyl-2-(phenylmethyl)propanoic acid

https://huagongshe.com/de/chemical/64800

Molekülstruktur von Benzenepropanoic acid, alpha-(phenylmethyl)-

Identifikatoren & physikalische Daten

CAS No.618-68-8
SummenformelC16H16O2
Durchschnittliche Molmasse240,3 g/mol
Monoisotopische Masse240,11502975 g/mol
SMILESO=C(O)C(Cc1ccccc1)Cc1ccccc1
InChIKeyRBLAOGBEJPHFHW-UHFFFAOYSA-N
PubChem CID64800
ChEMBLCHEMBL1742271
EC No.835-335-9
DTXSIDDTXSID6060684

Chemische & physikalische Eigenschaften

XLogP3,7
Polarare Oberfläche (TPSA)37,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen5
Schwere Atome18
Formalladung0
Komplexität230
Schmelzpunkt90°C
Siedepunkt343.02°C (rough estimate)
Dichte1.0752 (rough estimate)
Brechungsindex1.6290 (estimate)
Lagerbedingungen2-8°C
EPA chemische InformationenBenzenepropanoic acid, .alpha.-(phenylmethyl)- (618-68-8)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
TSCA-Inventar-StatusTSCA listed