Febuprol

Modify Date: 2025-08-27 21:43:48

Febuprol Structure
Febuprol structure
Common Name Febuprol
CAS Number 3102-00-9 Molecular Weight 224.29600
Density 1.034 g/cm3 Boiling Point 346ºC at 760 mmHg
Molecular Formula C13H20O3 Melting Point N/A
MSDS N/A Flash Point 163.1ºC

 Names

Name 1-butoxy-3-phenoxypropan-2-ol
Synonym More Synonyms

 Chemical & Physical Properties

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
InChIKey WBLXZPHICYCDGN-UHFFFAOYSA-N
SMILES CCCCOCC(O)COc1ccccc1

 Toxicological Information

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

 Safety Information

HS Code 2909499000

 Synthetic Route

~93%

Febuprol Structure

Febuprol

CAS#: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

~%

Febuprol Structure

Febuprol

CAS#:3102-00-9

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

~%

Febuprol Structure

Febuprol

CAS#:3102-00-9

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

 Customs

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%

 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
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