Basic information
- CAS
5441-06-5- Standard SMILES
OCCC1CCc2ccccc2C1- InChIKey
SNGODQVIALHLFA-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 2-Naphthaleneethanol, 1,2,3,4-tetrahydro-
- IUPAC
- 2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
- English name
- 1,2,3,4-Tetrahydro-2-naphthaleneethanol
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
2-Naphthaleneethanol, 1,2,3,4-tetrahydro-5441-06-5DTXSID70884157EINECS 226-627-1NSC 20569RefChem:476662DTXCID5010236222-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol1,2,3,4-Tetrahydro-2-naphthaleneethanolNSC205692-(1,2,3,4-tetrahydronaphthalen-2-yl)ethan-1-olSCHEMBL2525694
Show more names
SCHEMBL9567953SNGODQVIALHLFA-UHFFFAOYSA-NNSC-205692-Naphthaleneethanol,2,3,4-tetrahydro-1,2,3,4-Tetrahydronaphthalene-2-ethanolNS00013220A1-18918
Database identifiers
- CAS
5441-06-5- PubChem CID
- 95141
- DTXSID
DTXSID70884157- EC Number
- 226-627-1
- Nikkaji
- J210.479B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 123 · 123-127 °C(Press: 1 Torr)
- Density
- 1.028 · 1.028±0.06 g/cm3(Predicted)
- pka
- 15.11 · 15.11±0.10(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.879 · 2.879 (est)
- EPA Substance Registry System
- 2 · 2-Naphthaleneethanol, 1,2,3,4-tetrahydro- (5441-06-5)
- 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 InformationChemical: 2-Naphthaleneethanol, 1,2,3,4-tetrahydro-
Other Safety InformationIMAP assessments - 2-Naphthaleneethanol, 1,2,3,4-tetrahydro-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthaleneethanol, 1,2,3,4-tetrahydro-: INACTIVE
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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