Compound: 1-TETRALONE
SMILES: O=C1c2c(cccc2)CCC1
InChIKey: XHLHPRDBBAGVEG-UHFFFAOYSA-N
Synonyms: 1-TETRALONE, 529-34-0, alpha-Tetralone, 3,4-dihydronaphthalen-1(2H)-one, 1,2,3,4-Tetrahydronaphthalen-1-one, tetralone, 3,4-Dihydro-1(2H)-naphthalenone, 1-Oxotetralin, .alpha.-Tetralone, 1(2H)-Naphthalenone, 3,4-dihydro-, NSC 5171, 1,2,3,4-Tetrahydro-1-naphthalenone, HSDB 5678, EINECS 208-460-6, BRN 0607374, 6VT52A15HY, DTXSID2027175, AI3-19569, NSC-5171, DTXCID007175, 3,4-DIHYDRONAPHTHALENONE, 4-07-00-01015 (Beilstein Handbook Reference), CYCLOHEXENE,1-ONE,2,3-BENZO, alphatetralone, 1Oxotetralin, RefChem:436830, 3,4Dihydro2Hnaphthalen1one, 3,4Dihydro1(2H)naphthalenone, 1(2H)Naphthalenone, 3,4dihydro, 1,2,3,4Tetrahydronaphthalen1one, DTXSID501053287, 208-460-6, InChI=1/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H, 3,4-Dihydro-2H-naphthalen-1-one, 3,4-Dihydronaphthalen-1-one, a-Tetralone, MFCD00001688, 29059-07-2, 2,3,4-trihydronaphthalen-1-one, CHEMBL193373, 1,2,3,4-Tetrahydronaphthalone, tetralin-1-one, UNII-6VT52A15HY, alpha tetralone, alpha -tetralone, EINECS 249-394-8, 1-Oxo-1,2,3,4-tetrahydronaphthalene, alpha-Tetralone, 97%, SCHEMBL44545, Phenylbutyrate EP Impurity B, WLN: L66 BVT&J, SCHEMBL164385, SCHEMBL910775, SCHEMBL1148863, SCHEMBL1148865, SCHEMBL1452496, SCHEMBL1891844, SCHEMBL6306532, SCHEMBL9589272, 3,4-dihydro-2H-naphth-1-one, SCHEMBL29351871, NSC5171, 3,4-dihydro-1(2H)naphthalenone, 3,4-dihydro-1(2H)-napthalenone, 1,3,4-Tetrahydronaphthalen-1-one, CS-D0598, STR03237, 3,4-Dihydro-1(2H)-naphthaleneone, 3,4-dihydro-1-(2h)-naphthalenone, 3,4-Dihydronaphthalene-1(2H)-one, Sodium Phenylbutyrate EP Impurity B, Tox21_200446, 3,4-Dihydronaphthalen-1-(2H)-one, BBL027352, BDBM50159254, EBC-04041, HY-76194A, SBB066987, STK400014, 1,2,3,4-tetrahydronaphthalene-1-one, AKOS000119475, 1,2,3,4-Tetrahydro-1-oxonaphthalene, AC-6869, PB47531, NCGC00248620-01, NCGC00258000-01, CAS-529-34-0, SY001538, alpha-Tetralone, purum, >=96.0% (GC), DB-000666, CS-0226151, NS00001796, ST50646215, EN300-20133, P16483, F208977, Q522228, doi:10.14272/XHLHPRDBBAGVEG-UHFFFAOYSA-N.1, F0001-1364, Z104477014
Theoretical properties:
molecular_formula: C10H10O
molecular_weight: 146.19 g/mol
exact_mass: 146.073164938 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 11
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: LIQUID
color: LIQUID
boiling_point: 255-257 °C @ 760 MM HG
melting_point: 8 °C
density: 1.0988 @ 16 °C/4 °C
solubility: INSOL IN WATER
flash_point: 129 °C
vapor_pressure: 0.01 [mmHg]
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1-Tetralone is a bicyclic aromatic hydrocarbon and a ketone.  In terms of its structure, it can also be regarded as benzo-fused cyclohexanone.  It is a colorless oil with a faint odor. It is used as starting material for agricultural and pharmaceutical agents. The carbon skeleton of 1-tetralone is found in natural products such as Aristelegone A (4,7-dimethyl-6-methoxy-1-tetralone) from the family of Aristolochiaceae used in traditional Chinese medicine.