2-Naphthalenol, heptyl-
Basic information
- CAS
31215-04-0- Standard SMILES
CCCCCCCc1c(O)ccc2ccccc12- InChIKey
ROOZGFKDNMRTJN-UHFFFAOYSA-N- Molecular formula
- C17H22O
- Average molar mass
- 242.36 g/mol
- Monoisotopic mass
- 242.16706532
Names & identifiers
- Preferred name
- 2-Naphthalenol, heptyl-
- IUPAC
- 1-heptylnaphthalen-2-ol
- English name
- heptyl-2-naphthol
- Molecular formula
- C17H22O
- Molecular weight
- 242.35598
Names & synonyms
31215-04-02-Naphthalenol, heptyl-x-Heptyl-2-naphtholEINECS 250-513-0RefChem:88634DTXSID50894698Heptyl-2-naphthol1-heptylnaphthalen-2-ol1-heptyl-2-naphthol2-Naphthalenol, 1-heptyl-SCHEMBL11493047ROOZGFKDNMRTJN-UHFFFAOYSA-N
Show more names
Heptyl-2-naphthalenol2-Naphthalenol,heptyl-
NS00049353
Database identifiers
- CAS
31215-04-0- PubChem CID
- 160195
- EC Number
- 250-513-0
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionCBI
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Naphthalenol, heptyl- (31215-04-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
2-Naphthalenol, heptyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenol, heptyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesDye
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Naphthalenol, heptyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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