3,4-Dihydronaphthalen-1(2H)-one
Names
[ CAS No. ]:
529-34-0
[ Name ]:
3,4-Dihydronaphthalen-1(2H)-one
[Synonym ]:
a-Tetralone
α-Tetralone
3,4-dihydro-2H-naphthalen-1-one
EINECS 208-460-6
1-TETRALONE pure
1-oxotetrahydronaphthalene
1-oxo-1,2,3,4-tetrahydronaphthalene
3,4-Dihydro-1(2H)-naphthalenone
2,3,4-Trihydronaphthalen-1-one
alpha-Tetralone
tetralone
3,4-dihydronaphthalen-1(2H)-one
1,2,3,4-tetrahydronaphthalen-1-one
1,2,3,4-Tetrahydro-1-naphthalenone
1-Oxotetralin
Tetralone 1
MFCD00001688
1-tetralone
Tetralole
Biological Activity
[Description]:
[Related Catalog]:
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
255.8±10.0 °C at 760 mmHg
[ Melting Point ]:
2-7 °C(lit.)
[ Molecular Formula ]:
C10H10O
[ Molecular Weight ]:
146.19
[ Flash Point ]:
104.6±14.0 °C
[ Exact Mass ]:
146.073166
[ PSA ]:
17.07000
[ LogP ]:
2.61
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.564
[ Water Solubility ]:
insoluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QK4375000
- CHEMICAL NAME :
- 1(2H)-Naphthalenone, 3,4-dihydro-
- CAS REGISTRY NUMBER :
- 529-34-0
- BEILSTEIN REFERENCE NO. :
- 0607374
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H10-O
- MOLECULAR WEIGHT :
- 146.20
- WISWESSER LINE NOTATION :
- L66 BVT&J
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 810 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >2 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302
[ Precautionary Statements ]:
P301 + P312 + P330
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xn:Harmful
[ Risk Phrases ]:
R20/22
[ Safety Phrases ]:
S23-S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
QK4375000
[ Packaging Group ]:
I; II; III
[ HS Code ]:
29143900
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 29143900
Articles
J. Med. Chem. 48 , 440-9, (2005)
The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies o...
Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniquesEur. J. Med. Chem. 44 , 1941-51, (2009)
A series of naphthalene and non-naphthalene derivatives ( n = 42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The an...