4-Methylumbelliferone

Suppliers

Names

[ CAS No. ]:
90-33-5

[ Name ]:
4-Methylumbelliferone

[Synonym ]:
LM 94
7-hydroxy-4-methyl-coumarin
BMU
CantabbY
Medilla
7-hydroxy-4-methyl-chromen-2-one
4-Methylumbelliferone
EINECS 201-986-7
Crodimon
4-methyl-7-hydroxy coumarin
Bilcolic
Himecol
MFCD00006866
7-hydroxy-4-methyl-2H-chromen-2-one
Eurogale
7-Hydroxy-4-methylcoumarin

Chemical & Physical Properties

[ Density]:
1.319 g/cm3

[ Boiling Point ]:
377.4ºC at 760 mmHg

[ Melting Point ]:
188.5-190 °C(lit.)

[ Molecular Formula ]:
C10H8O3

[ Molecular Weight ]:
176.16900

[ Flash Point ]:
174.5ºC

[ Exact Mass ]:
176.04700

[ PSA ]:
50.44000

[ LogP ]:
1.80700

[ Storage condition ]:
-20°C Freezer

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
slightly soluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN7000000
CHEMICAL NAME :
Coumarin, 7-hydroxy-4-methyl-
CAS REGISTRY NUMBER :
90-33-5
BEILSTEIN REFERENCE NO. :
0142217
LAST UPDATED :
199710
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C10-H8-O3
MOLECULAR WEIGHT :
176.18
WISWESSER LINE NOTATION :
T66 BOVJ E1 IQ

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 :
3850 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,1619,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2550 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,1619,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7200 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,1619,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2850 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,1619,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 21,555,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,1619,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
56 gm/kg/4W-C
TOXIC EFFECTS :
Liver - changes in liver weight
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 4,1001,1970
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
182 gm/kg/26W-C
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in pituitary weight
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 4,1001,1970 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
6 gm/kg
SEX/DURATION :
female 9-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
GNRIDX Gendai no Rinsho. (Tokyo, Japan) V.1-10, 1967-76(?). Volume(issue)/page/year: 4,413,1970
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
6 gm/kg
SEX/DURATION :
female 7-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
GNRIDX Gendai no Rinsho. (Tokyo, Japan) V.1-10, 1967-76(?). Volume(issue)/page/year: 4,403,1970
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1500 mg/kg
SEX/DURATION :
female 7-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - stillbirth
REFERENCE :
GNRIDX Gendai no Rinsho. (Tokyo, Japan) V.1-10, 1967-76(?). Volume(issue)/page/year: 4,403,1970 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7017 No. of Facilities: 25 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 2001 (estimated) No. of Female Employees: 395 (estimated)

Safety Information

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

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
GN7000000

Synthetic Route

Precursor & DownStream

Precursor

  • Resorcine
  • Ethyl acetoacetate
  • Phenylacetylene
  • 4-methyl-2-oxo-2H-chromen-7-yl trifluoromethanesulfonate
  • 7-Acetoxy-4-methylcoumarin
  • Methyl acetoacetate
  • 2H-1-Benzopyran-2-one,4-methyl-7-(2-propen-1-yloxy)-
  • 4-methyl-7-phenylmethoxychromen-2-one
  • 2,2,6-Trimethyl-4H-1,3-dioxin-4-one

DownStream

  • 2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-8-(1-piperidinylmethyl)-
  • 4-methyl-[1]benzofuro[3,2-g]chromen-2-one
  • 4-Methylumbelliferyl-N-acetyl-ß-D-glucosaminide
  • 2,6-DIMETHOXYBENZALDEHYDE
  • 4-methylumbelliferyl α-D-galactoside
  • 4-Methylumbelliferyl-N-acetyl-beta-D-galactosaminide hydrate
  • (4-Methylumbelliferyl)-N-acetyl-4,7,8,9-tetra-O-acetyl-a-D-neuraminic Acid, Methyl Ester
  • Methyl5-acetamido-4,7,8,9-tetra-O-acetyl-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonate
  • 2,6-Dihydroxybenzaldehyde
  • 6,7-Dihydroxy-4-methyl-2H-chromen-2-one

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Related Compounds

  • 4-Methylumbelliferone-¹³C4
  • 4-Methylumbelliferone oleate
  • Sodium 4-methylumbelliferone
  • 3-ethyl-4-methylumbelliferone
  • 6-Amino-4-methylumbelliferone
  • 8-Amino-4-methylumbelliferone
  • Glycyl-N-(8-chloro-5-quinolinyl)glycinamide
  • 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
  • 1-(1H-indole-5-carbonyl)azetidin-3-ol
  • 4-Cyclohexyl-2-methylbutan-1-amine
  • 1-(4-Bromo-2-tert-butylphenyl)piperazine dihydrochloride
  • 3-Chloro-N-isopropyl-4-(trifluoromethoxy)aniline
  • 4-{[1-(2-Chlorophenyl)ethyl]amino}butan-2-ol
  • 2-Methyl-3-(2,4,6-trimethylphenyl)-2-propenoic acid
  • 4-Cyclopentyl-2-methylbutan-1-amine
  • LY-2090314 ethanol solvate
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