Hymexazol

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Names

[ CAS No. ]:
10004-44-1

[ Name ]:
Hymexazol

[Synonym ]:
Hydroxyisoxazole
5-methyl-3-isoxazolol
Tachigaren
3(2H)-isoxazolone, 5-methyl-, compd. with 5-methyl-3-isoxazolol (1:1)
Bucide
Itachigarden
Hymexazole
5-Methylisoxazol-3(2H)-one
5-methylisoxazol-3-ol
3-Hydroxy-5-Methylisoxazole
MFCD00144468
5-methyl-1,2-oxazol-3-ol
5-methyl-3(2H)-isoxazolone
Hymexazol
5-methyl-3-hydroxyisoxazole
5-methyl-1,2-oxazol-3-one
EINECS 233-000-6

Chemical & Physical Properties

[ Density]:
1.185 g/cm3

[ Boiling Point ]:
228.2ºC at 760 mmHg

[ Melting Point ]:
80°C

[ Molecular Formula ]:
C4H5NO2

[ Molecular Weight ]:
198.176

[ Flash Point ]:
91.8ºC

[ Exact Mass ]:
198.064056

[ PSA ]:
46.00000

[ LogP ]:
0.27630

[ Vapour Pressure ]:
0.0493mmHg at 25°C

[ Index of Refraction ]:
1.467

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY2932000
CHEMICAL NAME :
Isoxazole, 3-hydroxy-5-methyl-
CAS REGISTRY NUMBER :
10004-44-1
LAST UPDATED :
199312
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C4-H5-N-O2
MOLECULAR WEIGHT :
99.10
WISWESSER LINE NOTATION :
T5NOJ C1 EQ

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 :
3112 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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>10 gm/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 - rat
DOSE/DURATION :
1884 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 :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1 gm/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 :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2800 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1968 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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/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 :
1167 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 :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
445 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 :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>1 gm/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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/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 :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>2 gm/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Microorganism - not otherwise specified
DOSE/DURATION :
3 mg/L
REFERENCE :
NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 8,173,1983

Safety Information

[ Hazard Codes ]:
Xi;Xn

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S26-S39-S61

[ WGK Germany ]:
3

[ RTECS ]:
NY2932000

[ HS Code ]:
2934999024

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl acetoacetate
  • N-(trimethylsilyloxy)-N-(trimethylsilyl)acetoacetamide
  • Ethyl tetrolate
  • Diketene
  • 3-Oxothiobutyric acid S-ethyl ester
  • Methyl acetoacetate

DownStream

  • 3-Methoxy-5-Methyl-isoxazole
  • 2,5-dimethyl-4-isothiazolin-3-one
  • 3-ETHOXY-5-METHYLISOXAZOLE
  • 2-(chloromethyl)-5-methyl-1,2-oxazol-3-one
  • 2-benzyl-5-methyl-1,2-oxazol-3-one
  • 3-benzyloxy-5-methylisoxazole
  • (3-Oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid

Customs

[ HS Code ]: 2934999024

[ Summary ]:
HS:2934999024 5-methylisoxazol-3(2h)-one VAT:17.0% Tax rebate rate:9.0% Supervision conditions:S MFN tariff:6.5% General tariff:20.0%

Related Compounds

  • hymexazol
  • 4-(2-Methylpyrimidin-4-yl)-2-(thiomorpholine-4-carbonyl)morpholine
  • 6-[4-(6-Ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
  • 4-[6-[4-(4-Methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
  • 4-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]azetidin-1-yl}-2-cyclopropylpyrimidine
  • 4-{2-Methylpyrazolo[1,5-a]pyrazin-4-yl}-2-(thiomorpholine-4-carbonyl)morpholine
  • 2-[4-(5-Ethylpyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
  • 4-[4-(6-Ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
  • 2-[4-(5-Ethylpyrimidin-2-yl)piperazin-1-yl]-4-(pyrrolidin-1-yl)pyrimidine
  • 4-[4-(5-Ethylpyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
  • 4-[4-(6-Ethylpyrimidin-4-yl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine