6-Methylcoumarin

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Names

[ CAS No. ]:
92-48-8

[ Name ]:
6-Methylcoumarin

[Synonym ]:
6-Methyl-2H-1-benzopyran-2-one
6-Methyl-2H-chromen-2-one
6-methylchromen-2-one
2H-1-Benzopyran-2-one, 6-methyl-
6-Methylcoumarin
T66 BOVJ H1
EINECS 202-158-8
MFCD00006875
6 METHYL COUMARIN

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
304.6±21.0 °C at 760 mmHg

[ Melting Point ]:
73-76 °C(lit.)

[ Molecular Formula ]:
C10H8O2

[ Molecular Weight ]:
160.169

[ Flash Point ]:
124.3±19.5 °C

[ Exact Mass ]:
160.052429

[ PSA ]:
30.21000

[ LogP ]:
1.85

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.583

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN7792000
CHEMICAL NAME :
Coumarin, 6-methyl-
CAS REGISTRY NUMBER :
92-48-8
BEILSTEIN REFERENCE NO. :
0004222
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C10-H8-O2
MOLECULAR WEIGHT :
160.18
WISWESSER LINE NOTATION :
T66 BOVJ H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1680 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
253 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
2500 umol/L
REFERENCE :
HEREAY Hereditas (Lund, Sweden). (Gjoerloffsgatan 121, S-261 34 Landskrona, Sweden) V.1- 1947- Volume(issue)/page/year: 69,35,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5104 No. of Facilities: 12 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 24 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H317-H334

[ Precautionary Statements ]:
P261-P280-P342 + P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R42/43

[ Safety Phrases ]:
S22-S36/37-S45

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
GN7792000

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Hydroxy-5-methylbenzaldehyde
  • 3-oxo-3-phenylsulfanylpropanoic acid
  • 4-methylphenyl propynoate
  • 2-hydroxy-5-methylcinnamaldehyde
  • butyl acrylate
  • 4-Methylcyclohexanone
  • p-Cresol
  • acrylic acid methyl ester
  • Maleic acid

DownStream

  • (4S)-6-Methyl-4-phenylchroman-2-one
  • 6-Formaldehydecoumarin
  • 2-Oxo-2H-chromene-6-carboxylic acid
  • 5-Methyl-1-benzofuran-2-carboxylic acid
  • 2-(3-hydroxypropyl)-4-methyl-phenol
  • Tolterodine-L-tartrate
  • Methyl 3-(2-methoxy-5-methylphenyl)-3-phenylpropionate
  • 6-Methyl-4-phenylcoumarin
  • 6-methyl-2H-chromene
  • (4R)-6-Methyl-4-phenylchroman-2-one

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Related Compounds

  • 3-CYANO-6-METHYLCOUMARIN
  • 4-phenyl-6-methylcoumarin
  • 3-acetyl-6-methylcoumarin
  • 4-Formyl-6-methylcoumarin
  • 4-Hydroxy-6-methylcoumarin
  • 7-hydroxy-6-methylcoumarin
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 3-Nitro-n-(3-(tetrahydro-2h-pyran-4-ylamino)quinoxalin-2-yl)benzenesulfonamide
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 1-(2-{[(Cyclopentylamino)carbonyl]amino}ethyl)-2-methyl-1H-benzimidazole-5-carboxylic acid