3,4-Dihydronaphthalen-1(2H)-one

Suppliers

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
1(2H)-Naphthalenone, 3,4-dihydro-
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

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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • UNII:87652943HP
  • 1-tetralone 1,3-dithiane
  • 1,2,3,4-Tetrahydro-1-naphthylamine
  • 1,2,3,4-Tetrahydronaphthalene
  • 3,4-Dihydronaphthalen-1(2H)-one oxime
  • 1',2',3',4'-tetrahydro-spiro(1.3-dioxolane-2,1'-naphthalene)
  • 1-(2,3-dihydronaphthalen-4(1H)-ylidene)-2,2,-dimethylhydrazine
  • 2-bromo-1,2,3,4-tetrahydronaphthalen-1-one

DownStream

  • 2-ethenyl-3,4-dihydro-2H-naphthalen-1-one
  • 4-(nitromethyl)-1,2-dihydronaphthalene
  • 4-(3-methoxyphenyl)-1,2-dihydronaphthalene
  • 1a-(bromomethyl)-3,7b-dihydro-2H-naphtho[1,2-b]oxirene
  • 2-(1-oxo-3,4-dihydronaphthalen-2-ylidene)acetic acid
  • (S)-(+)-1,2,3,4-Tetrahydro-1-naphthol
  • (r)-(-)-1,2,3,4-tetrahydro-1-naphthol
  • 3-(1-Naphthyl)propanoic acid
  • 7-Bromo-1-tetralone

Customs

[ HS Code ]: 29143900

Articles

Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

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 techniques

Eur. 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...


More Articles

Related Compounds

  • 3,4-dihydronaphthalen-1(2H)-one oxime
  • 3,4-dihydronaphthalen-1(2H)-one oxime
  • 3,4-Dihydronaphthalen-1(2H)-one oxime
  • 6-iodo-3,4-dihydronaphthalen-1(2H)-one
  • 7-IODO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
  • 8-IODO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE