CAS 530-93-8 2-Tetralone (HCID 68266)

Names & identifiers

Preferred name: 2-Tetralone
IUPAC: 3,4-dihydro-1H-naphthalen-2-one
English name: beta-Tetralone
Molecular formula: C10H10O
Molecular weight: 146.19

Names & synonyms

beta-Tetralone2-Tetralone530-93-81,2,3,4-Tetrahydro-2-naphthalenone2(1H)-Naphthalenone, 3,4-dihydro-3,4-Dihydro-2(1H)-naphthalenoneK46ZZ833BHNSC-87083DTXSID0060193RefChem:410527DTXCID1041340208-498-3

Show more names

β-Tetralone2(1H)-NaphthalenoneB-TETRALONE

1,2,3,4-Tetrahydronaphthalen-2-one3,4-dihydronaphthalen-2(1H)-one3,4-Dihydro-1H-naphthalen-2-one3,4-Dihydro-2-oxonaphthalene.beta.-TetraloneMFCD00001727CHEMBL1916643,4-Dihydro-2(1H)naphthalenone

Database identifiers

CAS: 530-93-8
PubChem CID: 68266
DTXSID: DTXSID0060193
ChEMBL: CHEMBL191664
UNII: K46ZZ833BH
EC Number: 208-498-3
Nikkaji: J6.975B

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 162

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 18 °C · 18 °C(lit.)
Boiling point: 131 °C11 · 131 °C11 mm Hg(lit.)
Density: 1.106 g/mL · 1.106 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.560(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Liquid or Low Melting Solid
color: Clear pale yellow
Water Solubility: insoluble
Sensitive: Air Sensitive
BRN: 509386 · 509386
InChI: 1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
InChIKey: KCKZIWSINLBROE-UHFFFAOYSA-N
SMILES: O=C1CCc2ccccc2C1
CAS DataBase Reference: 530 · 530-93-8(CAS DataBase Reference)
FDA UNII: 46 ZZ833BH · K46ZZ833BH
NIST Chemistry Reference: 2 · 2(1H)-Naphthalenone, 3,4-dihydro-(530-93-8)
EPA Substance Registry System: 2 · 2-Tetralone (530-93-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 315 · H315-H410-H372
Precautionary statements: 264 · P264-P273-P280-P302+P352+P332+P313+P362+P364-P391-P501
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 10 · 10
TSCA: TSCA listed
HS Code: 29143900 · 29143900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Regulatory Information2(1H)-Naphthalenone, 3,4-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29143900
risk_code: 36/37/38-20/21/22
Signal word: Danger
Symbol(GHS): GHS07,GHS08,GHS09
hazard_code: Xi,Xn
safety_code: 26-36
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H410-H372
Precautionary statements: P264-P273-P280-P302+P352+P332+P313+P362+P364-P391-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2(1H)-Naphthalenone, 3,4-dihydro-: ACTIVE

Applications · 1 item

Usesβ-Tetralone is the 2-keto derivative of Tetralin. β-Tetralone was initially reported to be a metabolite of Tetralin but was later found to be just an artifact in the metabolism process. β-Tetralone is known to be biological marker in fossil fuels.