Basic information
- CAS
19832-98-5- Standard SMILES
CC1CCC(=O)c2ccccc21- InChIKey
SRLHDEROUKFEMJ-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-4-methylnaphthalen-1-one
- IUPAC
- 4-methyl-3,4-dihydro-2H-naphthalen-1-one
- English name
- 4-Methyl-1-tetralone
- Molecular formula
- C11H12O
- Molecular weight
- 160.21
Names & synonyms
4-Methyl-1-tetralone19832-98-51(2H)-Naphthalenone, 3,4-dihydro-4-methyl-EINECS 243-355-9NSC 656311,2,3,4-Tetrahydro-4-methylnaphthalen-1-oneDTXSID601315410RefChem:410534DTXCID401745320243-355-94-methyl-3,4-dihydronaphthalen-1(2H)-one4-methyl-3,4-dihydro-2H-naphthalen-1-one
Show more names
4-Methyltetralone.TIMTEC-BB SBB0084944-Methyltetralin-1-one4-Methyl-1-tetralone 97%4-Methyl-1-tetralone,97%(RS)-4-Methyl-1-tetralone
MFCD000016914-Methyl-1,2,3,4-tetrahydronaphthalen-1-one4-Methyl-.alpha.-tetralone4-Methyl-alpha-tetraloneSCHEMBL13399383,4-Dihydro-4-methyl-1(2H)-naphthalenoneAKOS015842658EN300-110187
Database identifiers
- CAS
19832-98-5- PubChem CID
- 89232
- DTXSID
DTXSID601315410- EC Number
- 243-355-9
- Nikkaji
- J112.960K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 95 °C1 · 95 °C1 mm Hg(lit.)
- Density
- 1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.56(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- Not miscible or difficult to mix in water.
- InChI
- 1S/C11H12O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-5,8H,6-7H2,1H3
- InChIKey
- SRLHDEROUKFEMJ-UHFFFAOYSA-N
- SMILES
- CC1CCC(=O)c2ccccc12
- CAS DataBase Reference
- 19832 · 19832-98-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1(2H)-Naphthalenone, 3,4-dihydro-4-methyl-(19832-98-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1(2H)-Naphthalenone, 3,4-dihydro-4-methyl-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29143990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-22
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses4-Methyl-1-tetralone is an important intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.
Upstream & downstream products
Downstream products
Suppliers76 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
Syntechem Co.,Ltd[email protected]
Related reactions
10 records
Compound notes
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