Benzoin

CAS Number: 119-53-9

Molecular Mass: 212.24 g/mol

Formula: C₁₄H₁₂O₂

Smiles: O=C(c1ccccc1)C(O)c1ccccc1

Synonymes:

Benzoin, BENZOIN, 119-53-9, 2-Hydroxy-1,2-diphenylethanone, 2-Hydroxy-2-phenylacetophenone, Benzoylphenylcarbinol, Ethanone, 2-hydroxy-1,2-diphenyl-, DL-BENZOIN, (+-)-Benzoin, Phenylbenzoyl carbinol, alpha-Hydroxy-alpha-phenylacetophenone, alpha-Hydroxybenzyl phenyl ketone, Aerozoin, desyl alcohol, Phenyl-alpha-hydroxybenzyl ketone, FEMA No. 2132, NCI-C50011, (RS)-Benzoin, Hydroxy-2-phenyl acetophenone, Wy 42956, NSC-8082, L7J6A1NE81, DTXSID1020144, DTXCID10144, CHEBI:17682, RefChem:578585, BENZOIN, (+-)-, 2 hydroxy 1,2 diphenylethanone, 204-331-3, 209-441-5, 579-44-2, 2-hydroxy-1,2-diphenylethan-1-one, Acetophenone, 2-hydroxy-2-phenyl-, 2-hydroxy-1,2-diphenyl-ethanone, NSC 8082, MFCD00004496, a-Hydroxybenzyl phenyl ketone, CHEMBL190677, Phenyl-.alpha.-hydroxybenzyl ketone, Ketone, .alpha.-hydroxybenzyl phenyl, NCGC00091396-02, .alpha.-Hydroxy-.alpha.-phenylacetophenone, CCRIS 75, CAS-119-53-9, Benzoin (VAN), HSDB 384, Ketone, alpha-hydroxybenzyl phenyl, EINECS 204-331-3, EINECS 209-441-5, Fenyl-alpha-hydroxybenzylketon [Czech], benzoine, BRN 0391839, UNII-L7J6A1NE81, Fenyl-alpha-hydroxybenzylketon, WY-42956, AI3-00851, Benzoin absolute, CCRIS 9123, DL-Benzoin, Desyl alcohol, (+/-)-2-Hydroxy-2-phenylacetophenone, 2-hydroxy-1,2-diphenyl ethanone, Alpha-hydroxy-a-phenylacetophenone, benzoin resin siam, PhCH(OH)COPh, PhCOCH(OH)Ph, Benzoin, 98%, (+/-)-benzoin, (1)-2-Hydroxy-1,2-diphenylethan-1-one, Benzoin, >=98%, BENZOIN [MI], (.+/-.)-Benzoin, WLN: QYR&VR, hydroxybenzyl phenyl ketone, SCHEMBL145, EC 204-331-3, Hydroxy-a-phenylacetophenone, Hyperabsolute benzoin, Siam, Benzoin, analytical standard, Hydroxy-2-phenylacetophenone, Oprea1_687165, 4-08-00-01279 (Beilstein Handbook Reference), MLS002152893, a-Hydroxy-a-phenylacetophenone, FEMA No. 2133, orb1303537, SCHEMBL3275656, SCHEMBL6033766, 2-hydroxy-2-phenyl-acetophenone, BENZOIN, (+/-)-, Fenyl-.alpha.-hydroxybenzylketon, SCHEMBL27565550, SCHEMBL27703917, BDBM22728, FEMA 2132, HSDB 1929, NSC8082, alpha -Hydroxybenzyl phenyl ketone, HMS3039I03, Phenyl-alpha -hydroxybenzyl ketone, .alpha.-Hydroxybenzyl phenyl ketone, HY-B1550, Tox21_111126, Tox21_201888, Tox21_302790, EBC-14458, MSK159940, SBB012413, STK358785, AKOS000118894, AKOS016038141, Tox21_111126_1, 2-Hydroxy-1,2-diphenylethanone, 9CI, Benzoin 100 microg/mL in Acetonitrile, CS-W020562, DB14020, FB34686, MSK159940-100T, alpha -Hydroxy-alpha -phenylacetophenone, Benzoin Solution in Toluene, 100ug/mL, MSK159940-1000T, NCGC00091396-01, NCGC00091396-03, NCGC00091396-05, NCGC00256433-01, NCGC00259437-01, AC-11139, Benzoin Solution in Toluene, 1000ug/mL, Benzoin, Vetec(TM) reagent grade, 98%, BS-14748, DA-51025, SMR001224505, ST069353, DB-018065, B0079, B0222, Benzoin, purified by sublimation, >=99.5%, NS00001432, T3939, EN300-18095, C01408, D77908, SBI-0653864.0001, (+/-)-2-HYDROXY-1,2-DIPHENYLETHANONE, AE-848/06163047, Ethanone, 2-hydroxy-1,2-diphenyl-, (.+/-.)-, F235660, Q426819, SR-01000854680, SR-01000854680-2, BRD-A55748233-001-08-7, Z57160197, F0001-0307, DL-Benzoin, Desyl alcohol, ()-2-Hydroxy-2-phenylacetophenone, Ethanone, 2-hydroxy-1,2-diphenyl-, mixt. with aloe, storax and Tolu Balsam, tincture

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	273.15	-	1.695	[214]
1-Butanol	278.15	-	2.125	[214]
1-Butanol	283.15	-	1.73	[212]
1-Butanol	283.15	-	1.6	[213]
1-Butanol	283.15	-	2.706	[214]
1-Butanol	288.15	-	2.472	[212]
1-Butanol	288.15	-	2.31	[213]
1-Butanol	288.15	-	3.443	[214]
1-Butanol	293.15	-	3.25	[212]
1-Butanol	293.15	-	3.343	[213]
1-Butanol	293.15	-	4.311	[214]
1-Butanol	298.15	-	4.531	[212]
1-Butanol	298.15	-	4.578	[213]
1-Butanol	298.15	-	5.398	[214]
1-Butanol	303.15	-	5.76	[212]
1-Butanol	303.15	-	6.148	[213]
1-Butanol	303.15	-	6.303	[214]
1-Butanol	308.15	-	8.26	[212]
1-Butanol	308.15	-	8.051	[213]
1-Butanol	308.15	-	7.489	[214]
1-Butanol	313.15	-	11.13	[212]
1-Butanol	313.15	-	10.56	[213]
1-Butanol	313.15	-	9.05	[214]
1-Butanol	318.15	-	14.63	[212]
1-Butanol	318.15	-	13.96	[213]
1-Butanol	323.15	-	17.18	[213]
1-Propanol	273.15	-	2.167	[214]
1-Propanol	278.15	-	2.732	[214]
1-Propanol	283.15	-	2.24	[212]
1-Propanol	283.15	-	2.15	[213]
1-Propanol	283.15	-	3.419	[214]
1-Propanol	288.15	-	3.055	[212]
1-Propanol	288.15	-	3.169	[213]
1-Propanol	288.15	-	4.253	[214]
1-Propanol	293.15	-	3.98	[212]
1-Propanol	293.15	-	4.26	[213]
1-Propanol	293.15	-	5.294	[214]
1-Propanol	298.15	-	5.971	[212]
1-Propanol	298.15	-	5.716	[213]
1-Propanol	298.15	-	6.621	[214]
1-Propanol	303.15	-	7.89	[212]
1-Propanol	303.15	-	8.003	[213]
1-Propanol	303.15	-	7.8	[214]
1-Propanol	308.15	-	10.4	[212]
1-Propanol	308.15	-	10.21	[213]
1-Propanol	308.15	-	9.239	[214]
1-Propanol	313.15	-	13.55	[212]
1-Propanol	313.15	-	13.39	[213]
1-Propanol	313.15	-	11.11	[214]
1-Propanol	318.15	-	17.8	[212]
1-Propanol	318.15	-	18.1	[213]
1-Propanol	323.15	-	23.9	[213]
Acetone	273.15	-	13.89	[214]
Acetone	278.15	-	17.07	[214]
Acetone	283.15	-	26.8	[212]
Acetone	283.15	-	25.84	[213]
Acetone	283.15	-	20.38	[214]
Acetone	288.15	-	31.12	[212]
Acetone	288.15	-	32.4	[213]
Acetone	288.15	-	25.24	[214]
Acetone	293.15	-	36.61	[212]
Acetone	293.15	-	37.88	[213]
Acetone	293.15	-	31.46	[214]
Acetone	298.15	-	46.34	[212]
Acetone	298.15	-	46.4	[213]
Acetone	298.15	-	36.8	[214]
Acetone	303.15	-	54.66	[212]
Acetone	303.15	-	54.42	[213]
Acetone	303.15	-	42.27	[214]
Acetone	308.15	-	67.28	[212]
Acetone	308.15	-	67.45	[213]
Acetone	308.15	-	49.23	[214]
Acetone	313.15	-	82.13	[212]
Acetone	313.15	-	82.01	[213]
Acetone	313.15	-	55.63	[214]
Acetone	318.15	-	102.3	[212]
Acetone	318.15	-	102.6	[213]
Acetone	323.15	-	128.9	[213]
Acetonitrile	273.15	-	8.438	[214]
Acetonitrile	278.15	-	10.71	[214]
Acetonitrile	283.15	-	13.6	[214]
Acetonitrile	288.15	-	16.57	[214]
Acetonitrile	293.15	-	20.57	[214]
Acetonitrile	298.15	-	26.99	[214]
Acetonitrile	303.15	-	31.64	[214]
Acetonitrile	308.15	-	37.73	[214]
Acetonitrile	313.15	-	44.73	[214]
Butyl acetate	273.15	-	7.449	[214]
Butyl acetate	278.15	-	9.219	[214]
Butyl acetate	283.15	-	10.57	[214]
Butyl acetate	288.15	-	12.85	[214]
Butyl acetate	293.15	-	15.09	[214]
Butyl acetate	298.15	-	17.42	[214]
Butyl acetate	303.15	-	20.58	[214]
Butyl acetate	308.15	-	24.21	[214]
Butyl acetate	313.15	-	28.16	[214]
Cyclohexane	283.15	-	1.184	[214]
Cyclohexane	288.15	-	1.582	[214]
Cyclohexane	293.15	-	2.111	[214]
Cyclohexane	298.15	-	2.654	[214]
Cyclohexane	303.15	-	3.397	[214]
Cyclohexane	308.15	-	4.32	[214]
Cyclohexane	313.15	-	5.352	[214]
Ethanol	273.15	-	2.869	[214]
Ethanol	278.15	-	3.648	[214]
Ethanol	283.15	-	4.01	[212]
Ethanol	283.15	-	4.194	[213]
Ethanol	283.15	-	4.466	[214]
Ethanol	288.15	-	5.051	[212]
Ethanol	288.15	-	5.38	[213]
Ethanol	288.15	-	5.564	[214]
Ethanol	293.15	-	7.509	[212]
Ethanol	293.15	-	7.3	[213]
Ethanol	293.15	-	6.775	[214]
Ethanol	298.15	-	8.923	[212]
Ethanol	298.15	-	9.07	[213]
Ethanol	298.15	-	8.713	[214]
Ethanol	303.15	-	11.26	[212]
Ethanol	303.15	-	11.62	[213]
Ethanol	303.15	-	10.11	[214]
Ethanol	308.15	-	13.1	[212]
Ethanol	308.15	-	13.9	[213]
Ethanol	308.15	-	12.43	[214]
Ethanol	313.15	-	17.45	[212]
Ethanol	313.15	-	17.59	[213]
Ethanol	313.15	-	14.36	[214]
Ethanol	318.15	-	22.96	[212]
Ethanol	318.15	-	23.39	[213]
Ethanol	323.15	-	28.18	[213]
Ethyl acetate	273.15	-	11.68	[214]
Ethyl acetate	278.15	-	13.98	[214]
Ethyl acetate	283.15	-	14.34	[213]
Ethyl acetate	283.15	-	17.26	[214]
Ethyl acetate	288.15	-	17.3	[213]
Ethyl acetate	288.15	-	20.87	[214]
Ethyl acetate	293.15	-	22.35	[213]
Ethyl acetate	293.15	-	25.12	[214]
Ethyl acetate	298.15	-	28.05	[213]
Ethyl acetate	298.15	-	29.15	[214]
Ethyl acetate	303.15	-	32.81	[213]
Ethyl acetate	303.15	-	34.97	[214]
Ethyl acetate	308.15	-	40.28	[213]
Ethyl acetate	308.15	-	41.09	[214]
Ethyl acetate	313.15	-	49.72	[213]
Ethyl acetate	313.15	-	48.23	[214]
Ethyl acetate	318.15	-	59.92	[213]
Ethyl acetate	323.15	-	75.34	[213]
Isobutanol	273.15	-	1.347	[214]
Isobutanol	278.15	-	1.691	[214]
Isobutanol	283.15	-	2.185	[214]
Isobutanol	288.15	-	2.851	[214]
Isobutanol	293.15	-	3.574	[214]
Isobutanol	298.15	-	4.404	[214]
Isobutanol	303.15	-	5.298	[214]
Isobutanol	308.15	-	6.39	[214]
Isobutanol	313.15	-	7.799	[214]
Isopropanol	273.15	-	1.24	[214]
Isopropanol	278.15	-	1.636	[214]
Isopropanol	283.15	-	2.193	[214]
Isopropanol	288.15	-	2.716	[214]
Isopropanol	293.15	-	3.436	[214]
Isopropanol	298.15	-	4.385	[214]
Isopropanol	303.15	-	5.554	[214]
Isopropanol	308.15	-	6.623	[214]
Isopropanol	313.15	-	7.888	[214]
Methanol	273.15	-	4.358	[214]
Methanol	278.15	-	5.355	[214]
Methanol	283.15	-	6.051	[213]
Methanol	283.15	-	6.609	[214]
Methanol	288.15	-	8.45	[213]
Methanol	288.15	-	8.293	[214]
Methanol	293.15	-	12.34	[213]
Methanol	293.15	-	10.25	[214]
Methanol	298.15	-	15.93	[213]
Methanol	298.15	-	12.7	[214]
Methanol	303.15	-	19.02	[213]
Methanol	303.15	-	15.2	[214]
Methanol	308.15	-	24.09	[213]
Methanol	308.15	-	18.06	[214]
Methanol	313.15	-	29.17	[213]
Methanol	313.15	-	21.55	[214]
Methanol	318.15	-	37.33	[213]
Methanol	323.15	-	45.77	[213]
Toluene	273.15	-	5.408	[214]
Toluene	278.15	-	6.316	[214]
Toluene	283.15	-	7.204	[214]
Toluene	288.15	-	8.072	[214]
Toluene	293.15	-	9.363	[214]
Toluene	298.15	-	11.01	[214]
Toluene	303.15	-	12.62	[214]
Toluene	308.15	-	14.83	[214]
Toluene	313.15	-	16.99	[214]

Molecule 3D descriptors

Descriptor	Value
PMI1	309.1162
PMI2	2013.8245
PMI3	2153.0315
NPR1	0.1436
NPR2	0.9353
RadiusOfGyration	3.2472
InertialShapeFactor	0.0030
Eccentricity	0.9896
Asphericity	0.6315
SpherocityIndex	0.1468
PBF	0.6437