(R)-(-)-1,2,3,4-Tetrahydro-1-naphthol
Basic information
- CAS
23357-45-1- Standard SMILES
O[C@@H]1CCCc2ccccc21- InChIKey
JAAJQSRLGAYGKZ-SNVBAGLBSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- (R)-(-)-1,2,3,4-Tetrahydro-1-naphthol
- IUPAC
- (1R)-1,2,3,4-tetrahydronaphthalen-1-ol
- English name
- (R)-(-)-1,2,3,4-Tetrahydro-1-naphthol
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
23357-45-1(R)-(-)-1,2,3,4-Tetrahydro-1-naphtholRefChem:407016622-816-1(R)-1,2,3,4-tetrahydronaphthalen-1-ol(1R)-1,2,3,4-Tetrahydronaphthalen-1-ol(R)-1-TetralolMFCD000630051-Naphthalenol, 1,2,3,4-tetrahydro-, (1R)-(R)-Tetralin-1-ol(R)-1,2,3,4-Tetrahydro-1-naphthol(R)-1,2,3,4-Tetrahydronaphthol
Show more names
(R)-(-)-1-Tetralol(r)-(-)-α-tetralol(R)-1-Hydroxytetralin(R)-(-)-ALPHA-TETRALOL(R)-1,2,3,4-Tetrahydro-1-naphthol,99%e.e.
CHEMBL203428BDBM50183616(R)-(-)-1,2,3,4-Tetrahydro-1-naphthol, 99%(1R)-tetralin-1-ol(r)-tetralol5929-35-1(R)-?Tetralol1-Tetralol, (R)-
Database identifiers
- CAS
23357-45-1- PubChem CID
- 7058028
- ChEMBL
CHEMBL203428- UNII
- F868YUS66X
- EC Number
- 622-816-1
- Nikkaji
- J330.336E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 37 · 37-39 °C
- Boiling point
- 140 °C17 · 140 °C17 mm Hg(lit.)
- Density
- 1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
- refractive index
- 1.518 · 1.5180 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 0 · 0-10°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 14.33 · 14.33±0.20(Predicted)
- color
- White to Almost white
- optical activity
- 17 · [α]17/D 32°, c = 2.5 in chloroform
- BRN
- 4350913 · 4350913
- InChI
- InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2/t10-/m1/s1
- InChIKey
- JAAJQSRLGAYGKZ-SNVBAGLBSA-N
- SMILES
- [C@H]1(O)C2=C(C=CC=C2)CCC1
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2907.19.8000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335-H302-H320
- Precautionary statements
- P261-P305+P351+P338-P264-P270-P301+P312+P330-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Uses(R)-(-)-1,2,3,4-Tetrahydro-1-naphthol is a pharmacceutical building block used in the synthesis of organic compounds such as GPR40 agonists acting as a novel insulin secretagogues with low risk of hypoglycemia.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
8 records
Compound notes
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