Basic information
- CAS
1333-52-4- Standard SMILES
CC(=O)c1cccc2ccccc12- InChIKey
QQLIGMASAVJVON-UHFFFAOYSA-N- Molecular formula
- C12H10O
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.07316494
Names & identifiers
- Preferred name
- 1-Acetylnaphthalene
- IUPAC
- 1-naphthalen-1-ylethanone
- English name
- 1'-Acetonaphthone
- Molecular formula
- C12H10O
- Molecular weight
- 170.21
Names & synonyms
1'-Acetonaphthone941-98-01-Acetylnaphthalene1-Acetonaphthone1-AcetonaphthaleneEthanone, 1-(1-naphthalenyl)-U44R403XVSDTXSID4052635NSC-7659LIQUID U-80RefChem:428945DTXCID1031208
Show more names
ALUMINAALUMINIUM OXIDEBOILING CHIPSSAPPHIREALUMINUM (III) OXIDERUBYALUMINIUM OXIDE BASICALUMINIUM OXIDE NEUTRALALUNDUM
213-384-1Methyl 1-naphthyl ketone1-(naphthalen-1-yl)ethanone1-(1-Naphthalenyl)ethanone1-naphthalen-1-ylethanone1-(naphthalen-1-yl)ethan-1-one1-Naphthyl methyl ketone1-(1-Naphthyl)ethanone
Database identifiers
- CAS
1333-52-4、941-98-0- PubChem CID
- 13663
- DTXSID
DTXSID4052635- UNII
- U44R403XVS
- EC Number
- 213-384-1
- Nikkaji
- J70.964F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 10.5 °C · 10.5 °C (lit.)
- Boiling point
- 302 °C · 302 °C (lit.)
- Density
- 1.12 g/mL · 1.12 g/mL at 25 °C (lit.)
- vapor pressure
- 0.052 Pa · 0.052Pa at 25℃
- refractive index
- 20 · n20/D 1.628(lit.)
- FLAVIS Number
- 7.214 · 07.214 | alpha-Methyl naphthyl ketone
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 0.2 g/l · 0.2g/l
- form
- powder
- color
- Clear pale yellow to yellow
- PH
- 6.5 · 6.5-7.0 (H2O)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. sweet neroli orange blossom powdery
- Odor Type
- floral
- Viscosity
- 32.357 mm2/s · 32.357mm2/s
- Water Solubility
- immiscible
- BRN
- 1100618 · 1100618
- Exposure limits
- 1 mg/m3OSHA: · ACGIH: TWA 1 mg/m3OSHA: TWA 15 mg/m3; TWA 5 mg/m3
- Dielectric constant
- 4.5 · 4.5(Ambient)
- Cosmetics Ingredients Functions
- FRAGRANCEPERFUMING
- InChI
- 1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
- InChIKey
- QQLIGMASAVJVON-UHFFFAOYSA-N
- SMILES
- CC(=O)c1cccc2ccccc12
- LogP
- 3.368 at · 3.368 at 25℃
- CAS DataBase Reference
- 941 · 941-98-0(CAS DataBase Reference)
- FDA UNII
- 44 R403XVS · U44R403XVS
- NIST Chemistry Reference
- 1 · Ethanone, 1-(1-naphthalenyl)-(941-98-0)
- EPA Substance Registry System
- 1 · Ethanone, 1-(1-naphthalenyl)- (941-98-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H412
- Precautionary statements
- 273 · P273-P301+P312+P330
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36
- WGK Germany
- -
- RTECS
- 1200000 · BD1200000
- F
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29143900 · 29143900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 1560 mg/kg FCTOD7 20,755,82
- REACH Registrations
- Active
Safety & regulation
Safety data
- F
- 3
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- -
- tsca
- TSCA listed
- rtecs
- BD1200000
- hs_code
- 29143900
- Toxicity
- LD50 orl-rat: 1560 mg/kg FCTOD7 20,755,82
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H412
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
- Precautionary statements
- P273-P301+P312+P330
Chemistry & industry
Applications
UsesUsed as an abrasive, catalyst, absorbent in petroleum industry, filler for coatings, food additive, ceramics, glass, refractories, electrical insulators and resistors, fluxes, dental cements, and chromatographic applications.
Uses1'-Acetonaphthone is used in the preparation of S(-)-1-(1'-naphthyl) ethanol, an important synthetic intermediate of mevinic acid analog.
General DescriptionStereoselective reduction of 1-acetonapthone in aqueous media by whole cells of Geotrichum candidum has been investigated in various organic co-solvents. Magnetic field effects on the photoinduced electron-transfer reaction between 1-acetonaphthone and diphenylamine in micellar solution have been studied by laser flash photolysis.
Upstream & downstream products
Upstream raw materials
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Related reactions
42 records
Compound notes
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