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Current Position: Home > Dictionary EN > N > 103-76-4
 
103-76-4 Properties
Density 1.061
Boiling Point 245-246℃
Flash Point 135℃
Melting Point -38.5℃
Appearance clear to pale yellow liquid
Vapour 0.0322mmHg at 25°C
Refractive Index 1.5055-1.5075
Solubility Miscible <
Color/Form Clear colorless to pale yellow
Other physical and chemical properties Liquid
Stability Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code 29335995
Storage temp Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
 
103-76-4 Safety Infomation
Safety Statements S26;S37/39
Risk Statements R38;R41
Hazard Codes Xi
Hazard Note H315; H319; H335
Safety Hazard Codes:Xi
Risk Statements:36/37/38-41-38
36/37/38:Irritating to eyes, respiratory system and skin
41:Risk of serious damage to eyes
38:Irritating to the skin
Safety Statements:26-36/39-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/39:Wear suitable protective clothing and eye/face protection
37/39:Wear suitable protective clothing, gloves and eye/face protection
WGK Germany:1
Hazard Note:Irritant
HS Code:29335995
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL6825000
CHEMICAL NAME :
1-Piperazineethanol
CAS REGISTRY NUMBER :
103-76-4
BEILSTEIN REFERENCE NO. :
0104361
LAST UPDATED :
199710
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C6-H14-N2-O
MOLECULAR WEIGHT :
130.22
WISWESSER LINE NOTATION :
T6M DNTJ D2Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 1/6/1970
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,865,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4920 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3350 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(5),67,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 1/6/1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3720 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(5),67,1980
Transport 200kgs
Specification

The 1-(2-Hydroxyethyl)piperazine, with its CAS registry number 103-76-4, has the IUPAC name of 2-piperazin-1-ylethanol. For being a kind of clear colorless to pale yellow oily liquid, it is usually applied in organic synthesis, with its product categories including Piperaizine.

The characteristics of this chemical are as below: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.43; (4)ACD/LogD (pH 7.4): -2.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.71; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 36.22 cm3; (15)Molar Volume: 128.6 cm3; (16)Polarizability: 14.35×10-24 cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.012 g/cm3; (19)Flash Point: 101.9 °C; (20)Enthalpy of Vaporization: 56.01 kJ/mol; (21)Boiling Point: 245 °C at 760 mmHg; (22)Vapour Pressure: 0.00492 mmHg at 25°C; (23)Exact Mass: 130.110613; (24)MonoIsotopic Mass: 130.110613; (25)Topological Polar Surface Area: 35.5; (26)Heavy Atom Count: 9; (27)Complexity: 71.5; (28)Covalently-Bonded Unit Count: 1.

Production method of this chemical: 4-(2-hydroxy-ethyl)-piperazine-1-carboxylic acid 3-methyl-but-2-enyl ester could react to produce 2-piperazin-1-yl-ethanol. This?reaction could?happen in the presence of the reagent of diethylamine, the catalytic agent of Pd(0) (in situ from Pd(OAc)2 and m.sulfonated triphenylphosphine) and the solvent of H2O and acetonitrile. This?needs the?reaction time of 15 min in the condition of?5 molpercent catalyst.

Use of this chemical: 1-(2-Hydroxyethyl)piperazine could react with 2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid ethyl ester to produce (2,3-dihydro-benzo[1,4]dioxin-2-yl)-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanone. This reaction needs the reaction time of 3 hour(s) and the reaction temp. of 110 ℃ with its?yield of?98%.

When you are dealing with this chemical, you should be cautious. For being a kind of irritant chemical which may cause inflammation to the skin or other mucous membranes, it is irritating to eyes, respiratory system and skin and may have risk of serious damage to eyes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1CN(CCN1)CCO
(2)InChI: InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
(3)InChIKey: WFCSWCVEJLETKA-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3720mg/kg (3720mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 67, 1980.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) ? National Technical Information Service. Vol. AD277-689,
rabbit LD50 oral 3350mg/kg (3350mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 67, 1980.
rabbit LD50 skin > 5mL/kg (5mL/kg) ? Union Carbide Data Sheet. Vol. 1/6/1970,
rat LD50 oral 4920uL/kg (4.92mL/kg) ? American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
?

Report

The 1-(2-Hydroxyethyl)piperazine, with its CAS registry number 103-76-4, has the IUPAC name of 2-piperazin-1-ylethanol. For being a kind of clear colorless to pale yellow oily liquid, it is usually applied in organic synthesis, with its product categories including Piperaizine.

The characteristics of this chemical are as below: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.43; (4)ACD/LogD (pH 7.4): -2.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.71; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 36.22 cm3; (15)Molar Volume: 128.6 cm3; (16)Polarizability: 14.35×10-24 cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.012 g/cm3; (19)Flash Point: 101.9 °C; (20)Enthalpy of Vaporization: 56.01 kJ/mol; (21)Boiling Point: 245 °C at 760 mmHg; (22)Vapour Pressure: 0.00492 mmHg at 25°C; (23)Exact Mass: 130.110613; (24)MonoIsotopic Mass: 130.110613; (25)Topological Polar Surface Area: 35.5; (26)Heavy Atom Count: 9; (27)Complexity: 71.5; (28)Covalently-Bonded Unit Count: 1.

Production method of this chemical: 4-(2-hydroxy-ethyl)-piperazine-1-carboxylic acid 3-methyl-but-2-enyl ester could react to produce 2-piperazin-1-yl-ethanol. This?reaction could?happen in the presence of the reagent of diethylamine, the catalytic agent of Pd(0) (in situ from Pd(OAc)2 and m.sulfonated triphenylphosphine) and the solvent of H2O and acetonitrile. This?needs the?reaction time of 15 min in the condition of?5 molpercent catalyst.

Use of this chemical: 1-(2-Hydroxyethyl)piperazine could react with 2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid ethyl ester to produce (2,3-dihydro-benzo[1,4]dioxin-2-yl)-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanone. This reaction needs the reaction time of 3 hour(s) and the reaction temp. of 110 ℃ with its?yield of?98%.

When you are dealing with this chemical, you should be cautious. For being a kind of irritant chemical which may cause inflammation to the skin or other mucous membranes, it is irritating to eyes, respiratory system and skin and may have risk of serious damage to eyes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1CN(CCN1)CCO
(2)InChI: InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
(3)InChIKey: WFCSWCVEJLETKA-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3720mg/kg (3720mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 67, 1980.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) ? National Technical Information Service. Vol. AD277-689,
rabbit LD50 oral 3350mg/kg (3350mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 67, 1980.
rabbit LD50 skin > 5mL/kg (5mL/kg) ? Union Carbide Data Sheet. Vol. 1/6/1970,
rat LD50 oral 4920uL/kg (4.92mL/kg) ? American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
?

 
 
 
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