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CAS No.: | 67362-76-9 |
---|---|
Name: | 4-DIMETHYLAMINOBENZOIC ACID 2-N-BUTOXYETHYL ESTER |
Molecular Structure: | |
Formula: | C15H23NO3 |
Molecular Weight: | 265.35 |
Synonyms: | 2-Butoxyethyl4-(dimethylamino)benzoate;Butoxyethyl 4-dimethylaminobenzoate;2-N-Butoxyethyl 4-dimethylaminobenzoate; |
EINECS: | 266-668-2 |
Density: | 1.043 g/cm3 |
Boiling Point: | 357.9 °C at 760 mmHg |
Flash Point: | 170.3 °C |
Solubility: | Insoluble in water |
Risk Codes: | 20/21/22 |
Safety: | 23-36/37/39 |
PSA: | 38.77000 |
LogP: | 2.72610 |
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The Benzoic acid, 4-(dimethylamino)-, 2-butoxyethyl ester, with the CAS registry number 67362-76-9, is also known as 2-N-Butoxyethyl 4-dimethylaminobenzoate. Its EINECS registry number is 266-668-2. This chemical's molecular formula is C15H23NO3 and molecular weight is 265.35. What's more, its IUPAC name is 2-Butoxyethyl 4-(dimethylamino)benzoate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant, light, heat source.
Physical properties about Benzoic acid, 4-(dimethylamino)-, 2-butoxyethyl ester are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 447.79; (6)ACD/BCF (pH 7.4): 448.05; (7)ACD/KOC (pH 5.5): 2749; (8)ACD/KOC (pH 7.4): 2750.57; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 77.24 cm3; (15)Molar Volume: 254.2 cm3; (16)Polarizability: 30.62×10-24 cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.043 g/cm3; (19)Flash Point: 170.3 °C; (20)Enthalpy of Vaporization: 60.34 kJ/mol; (21)Boiling Point: 357.9 °C at 760 mmHg; (22)Vapour Pressure: 2.64E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. In addition, the vapour of this chemical can not be breathed. During using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCOCCCC)c1ccc(N(C)C)cc1
(2) InChI: InChI=1/C15H23NO3/c1-4-5-10-18-11-12-19-15(17)13-6-8-14(9-7-13)16(2)3/h6-9H,4-5,10-12H2,1-3H3
(3) InChIKey: PAAVDLDRAZEFGW-UHFFFAOYAR