7-hydroxy-3,4-dihydro-2H-naphthalen-1-one

HCID 571818

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22009-38-7
Standard SMILES: O=C1CCCc2ccc(O)cc21
InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N
Molecular formula: C10H10O2
Average molar mass: 162.18 g/mol
Monoisotopic mass: 162.06807956

Names & identifiers

Preferred name: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
IUPAC: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
English name: 7-Hydroxy-1-tetralone
Molecular formula: C10H10O2
Molecular weight: 162.19

Names & synonyms

7-hydroxy-3,4-dihydro-2H-naphthalen-1-one3,4-dihydro-7-hydroxy-1(2H)-naphthalenoneRefChem:546545696-527-47-Hydroxy-1-tetralone22009-38-77-Hydroxy-3,4-dihydronaphthalen-1(2H)-oneMFCD013122257-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONESCHEMBL3855547-Hydroxy-1-tetralone (5)7-Hydroxy-3,4-dihydro-1(2H)-naphthalenone

Show more names

4-dihydro-7-hydroxy-7-hydroxyl-1-tetraloneAgomelatine Impurity 487-Hydroxy-1-tetralone 99%Allisartan Isoproxil Impurity 247-hydroxy-1-tetrahydronaphthalone7- Hydroxyl -1-tetrahydronaphthalene7-Hydroxy-3,4-dihydro-2H-1-naphthone

MB01768AC-27437H16507-Hydroxytetralin-1-oneZ11981565797-hydroxytetralone1(2H)-Naphthalenone, 3,4-dihydro-7-hydroxy-AMY14181

Database identifiers

CAS: 22009-38-7
PubChem CID: 571818
DTXSID: DTXSID00341263
EC Number: 696-527-4
Nikkaji: J1.854.436I

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 164 to · 164.0 to 168.0 °C
Boiling point: 215 °C/12mmHg · 215°C/12mmHg(lit.)
Density: 1.236 · 1.236±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 9.44 · 9.44±0.20(Predicted)
color: White to Gray to Brown
InChI: InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,11H,1-3H2
InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(O)=C2)CCC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HS Code: 2914500075 · 2914500075
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 29-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19228

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2914500075
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 1 item

Uses7-Hydroxy-1-tetralone, its derivatives and related fluorescent chalcones have been used as pharmacological tools to study the human histamine H3 receptor. Also C7-Substituted α-Tetralone derivatives have been study as Inhibitors of Monoamine Oxidase.

Upstream & downstream products

Upstream raw materials

5-Hydroxy-1-tetralone 1(2H)-Naphthalenone, 3,4-dihydro-5,8-dihydroxy-2-Cyclohexen-1-ol, 3-nitro-7-Oxabicyclo[4.1.0]heptan-2-one, oxime 7-Methoxy-1-tetralone 5,6,7,8-Tetrahydro-2-naphthol Aluminum chloride 1,7-Dihydroxynaphthalene 1-Tetralone Toluene

Downstream products

6-Hydroxy-1-tetralone

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

39 records

New reaction record

HRID 35660As reactantuspto-grants-1988_08

HRID 106357As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110483As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 161223As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 200366As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 280142As reactantuspto-grants-1986_05

HRID 376894As reactantuspto-grants-2000_02

HRID 422192As reactantuspto-grants-2012_01

Compound notes

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