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| CAS No.: | 57987-55-0 |
|---|---|
| Name: | 2,4-DIETHYL-1,5-PENTANEDIOL |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H20O2 |
| Molecular Weight: | 160.25 |
| Synonyms: | 2,4,6-TRICHLOROANISOLE;Kyowa Diol PD-9;2,4-Diethyl-1,5-pentanediol;1,5-Pentanediol,2,4-diethyl; |
| EINECS: | 429-310-8 |
| Density: | 0.927 g/cm3 |
| Boiling Point: | 256.9 °C at 760 mmHg |
| Flash Point: | 134.9 °C |
| Safety: | 23-24/25 |
| PSA: | 40.46000 |
| LogP: | 1.41350 |
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- Total:22 Page 1 of 1 1
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Specification
The 1,5-Pentanediol,2,4-diethyl-, with the CAS registry number 57987-55-0, is also known as 2,4-Diethyl-1,5-pentanediol. This chemical's molecular formula is C9H20O2 and molecular weight is 160.25. Its IUPAC name is called 2,4-diethylpentane-1,5-diol. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of 1,5-Pentanediol,2,4-diethyl-: (1)ACD/LogP: 1.16; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): 1.16; (4)ACD/BCF (pH 5.5): 4.47; (5)ACD/BCF (pH 7.4): 4.47; (6)ACD/KOC (pH 5.5): 101.66; (7)ACD/KOC (pH 7.4): 101.66; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.453; (12)Molar Refractivity: 46.73 cm3; (13)Molar Volume: 172.8 cm3; (14)Surface Tension: 34.3 dyne/cm; (15)Density: 0.927 g/cm3; (16)Flash Point: 134.9 °C; (17)Enthalpy of Vaporization: 57.43 kJ/mol; (18)Boiling Point: 256.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00224 mmHg at 25°C.
When you are using this chemical, please be cautious about it. You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In addition, you must avoid contacting it with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(CC(CC)CO)CO
(2)InChI: InChI=1S/C9H20O2/c1-3-8(6-10)5-9(4-2)7-11/h8-11H,3-7H2,1-2H3
(3)InChIKey: OJRJDENLRJHEJO-UHFFFAOYSA-N