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Basic information
- CAS
117-51-1- Standard SMILES
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1- InChIKey
OORFXDSWECAQLI-UHFFFAOYSA-N- Molecular formula
- C22H32O2
- Average molar mass
- 328.496 g/mol
- Monoisotopic mass
- 328.24023026
Names & identifiers
- Preferred name
- 3-Hexyl-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-ol
- IUPAC
- 3-Hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
- English name
- 3-Hexyl-1-hydroxy-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)p yran
- Molecular formula
- C22H32O2
- Molecular weight
- 328.49
Names & synonyms
ParahexylsynhexylPyrahexylSynhexyl (>85%)OORFXDSWECAQLI-UHFFFAOYSA-N3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol3-Hexyl-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-ol6H-Dibenzo[b,d]pyran-1-ol, 3-hexyl-7,8,9,10-tetrahydro-6,6,9-trimethyl-3-Hexyl-1-hydroxy-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)p yran
Database identifiers
- CAS
117-51-1- PubChem CID
- 8334
- DTXSID
DTXSID90861748- ChEMBL
CHEMBL3245948- UNII
- 450N174F9W
- Nikkaji
- J5.289B
Properties
Physicochemical properties
- Boiling point
- 1 · bp1.0 190-192°
- Density
- 1.0474 · 1.0474 (rough estimate)
- refractive index
- 20 · nD20 1.5504
- pka
- 10.32 · 10.32±0.60(Predicted)
- FDA UNII
- 450 N174F9W · 450N174F9W
- Toxicity
- 50 in · LD50 in mice, dogs, rabbits (mg/kg): 170, 223, 143 i.v. (Loewe)
- DEA Controlled Substances
- 7374 CSA · CSCN: 7374CSA SCH: Schedule INARC: No
Safety & regulation
Safety data
- Toxicity
- LD50 in mice, dogs, rabbits (mg/kg): 170, 223, 143 i.v. (Loewe)
- DEA Controlled Substances
- CSCN: 7374CSA SCH: Schedule INARC: No
Chemistry & industry
Applications
UsesSynhexyl enhances central nervous system depression in rats.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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