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1,2,3,4-TETRAHYDRO-2-NAPHTHOL

CAS：530-91-6
MW:148.205
MF：C10H12O

1,2,3,4-TETRAHYDRO-2-NAPHTHOL, with the chemical formula C10H12O and CAS registry number 530-91-6, is a compound known for its aromatic properties and applications in organic synthesis. This colorless crystalline solid, also referred to as tetralinol, is characterized by its naphthalene ring structure and hydroxyl functional group. It is commonly used as a building block in the production of various chemicals, including pharmaceuticals, dyes, and fragrances. 1,2,3,4-TETRAHYDRO-2-NAPHTHOL exhibits moderate solubility in water and is stable under normal conditions. It is important to handle this compound with care, as it may cause irritation to the skin, eyes, and respiratory system. Overall, 1,2,3,4-TETRAHYDRO-2-NAPHTHOL plays a crucial role in the synthesis of diverse compounds and contributes to the advancement of various industries.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 1,2,3,4-TETRAHYDRO-2-NAPHTHOL

1.2 Synonyms: (±)-1,2,3,4-Tetrahydro-2-naphthol; 1,2,3,4-tetrahydro-2-naphthaleno; 1,2,3,4-Tetrahydro-2-naphthalenol; 1,2,3,4-tetrahydro-2-naphtho; 1,2,3,4-Tetrahydro-2-naphtholbeta-Tetralol; 1,2,3,4-Tetrahydronaphthalen-2-ol; 2-hedroxy-1,2,3,4-tetrahydronaphthalene; 2-Hydroxy-1,2,3,4-tetrahydronaphthalene; 2-Hydroxytetralin; 2-hydroxytetraline; 2-Naphthalenol, 1,2,3,4-tetrahydro-; 2-Naphthol, 1,2,3,4-tetrahydro-; 2-Tetralinol; 2-Tetralol; NSC 44875; NSC 5669; β-Tetralol;

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1.3 CAS No.: 530-91-6

1.4 CID: 10747

1.5 EINECS: 208-497-8

1.6 Molecular Formula: C10H12O

1.7 Inchi: InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2

1.8 InChkey: JWQYZECMEPOAPF-UHFFFAOYSA-N

1.9 Canonical Smiles: C1CC2=CC=CC=C2CC1O

1.10 Isomers Smiles: C1CC2=CC=CC=C2CC1O

2. Properties

2.1 Appearance: Colorless to Almost colorless clear liquid

2.2 Chemical Properties: Clear yellow to slightly brownish viscous liquid

2.3 Color/Form: LIQUID

2.4 pKa: 15.04±0.20(Predicted)

3. Use and Manufacturing

3.1 Description

1,2,3,4-TETRAHYDRO-2-NAPHTHOL, with the chemical formula C10H12O, has the CAS number 530-91-6. It appears as a white to off-white crystalline powder with a faint odor. The basic structure of 1,2,3,4-TETRAHYDRO-2-NAPHTHOL consists of a naphthalene ring with a hydroxyl group attached to one of the carbon atoms. This compound is sparingly soluble in water. Safety information regarding 1,2,3,4-TETRAHYDRO-2-NAPHTHOL is not available.

Applicable Fields

Chemical synthesis: 1,2,3,4-TETRAHYDRO-2-NAPHTHOL is commonly used as a reagent in chemical synthesis. Its purpose in this field involves its ability to participate in various reactions, such as oxidation and reduction processes. The mechanism of action in chemical synthesis depends on the specific reaction being carried out.

Storage

Conditions: Store in a cool and dry place.

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4. Safety and Handling

4.1 Report: Reported in EPA TSCA Inventory.

4.2 Safety: Poison by subcutaneous route. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Xn
Risk Statements about Tetralol (CAS NO.530-91-6):
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements about Tetralol (CAS NO.530-91-6):
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
Attention:
1. Storage: Store in a cool, dry place. Store in a tightly closed container.
2. Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.

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4.3 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LD50	oral	1mL/kg (1mL/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse	LD50	oral	2mL/kg (2mL/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit	LD50	oral	2800uL/kg (2.8mL/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit	LD50	skin	> 4mL/kg (4mL/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rat	LD50	oral	1mL/kg (1mL/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

7. Synthesis Route

530-91-6Total: 26 Synthesis Route

91-13-4 155 Suppliers

530-91-6 24 Suppliers

530-93-8 100 Suppliers

530-91-6 24 Suppliers

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8. Precursor and Product

precursor:

135-19-3

119-64-2

447-53-0

530-93-8

612-17-9

91-13-4

product:

776-79-4

493-01-6

493-02-7

119-64-2

5746-69-0

91-17-8

2954-50-9

825-51-4

447-53-0

530-93-8

691892-19-0

9. Computed Properties

Molecular Weight：148.205g/mol
Molecular Formula：C₁₀H₁₂O
Compound Is Canonicalized：True
XLogP3-AA：148.088815002
Monoisotopic Mass：148.088815002
Complexity：133
Rotatable Bond Count：0
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：20.2
Heavy Atom Count：：11
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAGgAACAAADBSgmAIwAIAAAgCAAiBCAAACAAAgAAAIiAAAAIgIMCKAERCAYAAkwAEIiAeAwLAOgAAAAAAQAABAAAIAACAAAAAAAAAAAA==