Basic information
- Name:
1,3-Propanediol,2-amino-2-methyl-
- Superlist Name:
- 2-Amino-2-methyl-1,3-propanediol
- CAS No.:
115-69-5
- Molecular Structure:
- Formula:
- C4H11NO2
- Molecular Weight:
- 105.16
- Deleted CAS:
- 17162-11-7
- Synonyms:
- 1,1-Di(hydroxymethyl)ethylamine;1,3-Dihydroxy-2-amino-2-methylpropane;1,3-Dihydroxy-2-methyl-2-propylamine;2-Amino-2-methylpropan-1,3-diol;2-Methyl-2-amino-1,3-propanediol;AMPD;Amediol;Aminoglycol;Ammediol;Bis;NSC 6364;
- EINECS:
- 204-100-7
- Density:
- 1.126 g/cm3
- Melting Point:
- 100-110 °C(lit.)
- Boiling Point:
- 271.5 °C at 760 mmHg
- Flash Point:
- 109.7 °C
- Solubility:
- 2500 g/L (20 °C) in water
- Appearance:
- white powder
- Hazard Symbols:
Xi, 
Xn- Risk Codes:
- 36/37/38-20/21/22
- Safety Description:
- 26-36-37/39 Details
- Transport Information:
- UN 3259 8/PG 2
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Reported in EPA TSCA Inventory.
Specification
0The 2-Amino-2-methyl-1,3-propanediol is an organic compound with the formula C4H11NO2. The IUPAC name of this chemical is 2-amino-2-methylpropane-1,3-diol. With the CAS registry number 115-69-5, it is also named as 1,3-propanediol, 2-amino-2-methyl-. The product's categories are Industrial/Fine Chemicals; API Intermediates. Besides, it is a white powder, which should be stored in a closed and dry place. It is used for absorbent of acid gas, emulsifier of oil lipids and waxes, biological buffers and synthesis of surfactants.
Physical properties about 2-Amino-2-methyl-1,3-propanediol are: (1)ACD/LogP: -1.17; (2)ACD/LogD (pH 5.5): -4.25; (3)ACD/LogD (pH 7.4): -3.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 21.7 Ä2; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 27.15 cm3; (14)Molar Volume: 93.3 cm3; (15)Polarizability: 10.76×10-24cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.126 g/cm3; (18)Flash Point: 109.7 °C; (19)Enthalpy of Vaporization: 59.19 kJ/mol; (20)Boiling Point: 271.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000836 mmHg at 25°C.
Uses of 2-Amino-2-methyl-1,3-propanediol: it can be used to produce 4-hydroxymethyl-4-methyl-oxazolidin-2-one at temperature of 109.85 °C. It will need reagent NaOMe and solvent ethanol with reaction time of 2 days. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC(N)(C)CO
(2)InChI: InChI=1/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
(3)InChIKey: UXFQFBNBSPQBJW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
(5)Std. InChIKey: UXFQFBNBSPQBJW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | oral | 140mg/kg (140mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. | |
| rabbit | LDLo | oral | 1500mg/kg (1500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: COMA | Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940. |
| rat | LD50 | oral | 17gm/kg (17000mg/kg) | Journal of the American College of Toxicology. Vol. 9(2), Pg. 203, 1990. |
