3102-00-9

3102-00-9 structure

Name: Febuprol
Chemical Name: 1-butoxy-3-phenoxypropan-2-ol
CAS Number: 3102-00-9
Molecular Formula: C₁₃H₂₀O₃
Molecular Weight: 224.29600
Catalog: API Digestive system medication Biliary medicine
Create Date: 2018-07-02 17:34:39
Modify Date: 2024-01-05 18:19:13

Name	1-butoxy-3-phenoxypropan-2-ol
Synonyms	1-Butoxy-3-phenoxy-2-propanol 1-Phenoxy-3-butoxy-2-propanol MFCD00867165 Febuprol 2-Propanol,1-n-butoxy-3-phenoxy 3-n-Butoxy-1-phenoxy-2-propanol 2-Propanol,1-butoxy-3-phenoxy 1-phenoxy-2-hydroxy-3-butoxypropane 1-n-Butyl-3-phenyl diether glycerol 1-butoxy-3-phenoxy-propan-2-ol Valbil EINECS 221-454-8

Density	1.034 g/cm3
Boiling Point	346ºC at 760 mmHg
Molecular Formula	C₁₃H₂₀O₃
Molecular Weight	224.29600
Flash Point	163.1ºC
Exact Mass	224.14100
PSA	38.69000
LogP	2.24300
Index of Refraction	1.502

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UA8400000

CHEMICAL NAME :: 2-Propanol, 1-butoxy-3-phenoxy-

CAS REGISTRY NUMBER :: 3102-00-9

BEILSTEIN REFERENCE NO. :: 1876848

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C13-H20-O3

MOLECULAR WEIGHT :: 224.33

WISWESSER LINE NOTATION :: 4O1YQ1OR

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 :: 2370 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3050 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 436 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974

HS Code	2909499000

122-60-1

71-36-3

~93%

3102-00-9

Literature: Salehi, Peyman; Dabiri, Minoo; Zolfigol, Mohammad Ali; Fard, Mohammad Ali Bodaghi Phosphorus, Sulfur and Silicon and the Related Elements, 2004 , vol. 179, # 6 p. 1113 - 1121

122-60-1

5593-70-4

3102-00-9

68938-62-5

Literature: Russian Journal of Organic Chemistry, , vol. 29, # 1.1 p. 63 - 66 Zhurnal Organicheskoi Khimii, , vol. 29, # 1 p. 76 - 80

122-60-1

71-36-3

3102-00-9

55850-30-1

Detail

Literature: J. Appl. Chem. USSR (Engl. Transl.), , vol. 53, # 2 p. 404 - 407,339 - 343

Precursor 3
122-60-1 71-36-3 5593-70-4
DownStream 0

HS Code	2909499000
Summary	2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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