Compound: BENZOIN
SMILES: O=C(c1ccccc1)C(O)c2ccccc2
InChIKey: ISAOCJYIOMOJEB-UHFFFAOYSA-N
Synonyms: BENZOIN, 119-53-9, 2-Hydroxy-1,2-diphenylethanone, 2-Hydroxy-2-phenylacetophenone, Benzoylphenylcarbinol, DL-BENZOIN, Ethanone, 2-hydroxy-1,2-diphenyl-, (+-)-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 Zone Refined (number of passes:40), Benzoin, purified by sublimation, >=99.5%, NS00001432, 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
Theoretical properties:
molecular_formula: C14H12O2
molecular_weight: 212.24 g/mol
exact_mass: 212.083729621 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 16
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: PALE YELLOW CRYSTALS
color: PALE YELLOW CRYSTALS
odor: SWEET NON-DESCRIPT ODOR
boiling_point: 651 °F at 760 mmHg (NTP, 1992)
melting_point: 279 °F (NTP, 1992)
density: 1.31 at 68 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 0.1 mg/mL at 64 °F (NTP, 1992)
vapor_pressure: 1 MM HG @ 135.6 °C
Descriptions:
pubchem: Benzoin is a ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the alpha-position. The parent of the class of benzoins. It has a role as an EC 3.1.1.1 (carboxylesterase) inhibitor. It is a secondary alpha-hydroxy ketone and a member of benzoins.
chebi: A ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the α-position. The parent of the class of benzoins.
chembl: BENZOIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Benzoin may refer to:

Benzoin (organic compound), an organic compound with the formula PhCH(OH)C(O)Ph
Benzoin (resin), a balsamic resin obtained from the bark of several species of trees in the genus Styrax
Benzoin aldolase, an enzyme that catalyzes the chemical reaction benzoin to benzaldehyde
Benzoin condensation, a reaction between two aromatic aldehydes
Benzoin odoriferum or Lindera benzoin, a shrub in the laurel family
Benzoin tree, the common name of Styrax, a genus of shrubs or trees in the family Styracaceae
Tincture of benzoin, a pungent solution of benzoin resin in ethanol