-
Name
PHENYLHYDROQUINONE DIACETATE
- EINECS -0
- CAS No. 58244-28-3
- Article Data1
- CAS DataBase
- Density 1.175 g/cm3
- Solubility
- Melting Point 66-71 °C
- Formula C16H14O4
- Boiling Point 418.8 °C at 760 mmHg
- Molecular Weight 270.285
- Flash Point 212 °C
- Transport Information
- Appearance off-white to light beige crystalline powder
- Safety 24/25
- Risk Codes 36/37/38
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Molecular Structure
- Hazard Symbols
- Synonyms [1,1'-Biphenyl]-2,5-diol,diacetate (9CI);Phenylhydroquinone diacetate;Biphenyl-2,5-diyl diacetate;4-Acetyloxy-2-phenylphenyl acetate;5-(Acetyloxy)[1,1'-biphenyl]-2-yl acetate;
- PSA 52.60000
- LogP 3.20420
[1,1'-Biphenyl]-2,5-diol,2,5-diacetate Specification
This chemical is called [1,1'-Biphenyl]-2,5-diol,2,5-diacetate, and it can also be named as Phenylhydroquinone diacetate. With the molecular formula of C16H14O4, its molecular weight is 270.28. The CAS registry number of this chemical is 58244-28-3, and its product categories are Anisoles, Alkyloxy Compounds & Phenylacetates. Additionally, this chemical should be stored at the temperature of 0-6°C.
Other characteristics of the [1,1'-Biphenyl]-2,5-diol,2,5-diacetate can be summarised as follows: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 79.16; (6)ACD/BCF (pH 7.4): 79.16; (7)ACD/KOC (pH 5.5): 795.32; (8)ACD/KOC (pH 7.4): 795.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 73.52 cm3; (15)Molar Volume: 229.9 cm3; (16)Polarizability: 29.14×10-24 cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 212 °C; (20)Enthalpy of Vaporization: 67.24 kJ/mol; (21)Boiling Point: 418.8 °C at 760 mmHg; (22)Vapour Pressure: 3.2E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. You should avoid contact with skin and eyes when you use it.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Oc2ccc(OC(=O)C)cc2c1ccccc1)C
2.InChI: InChI=1/C16H14O4/c1-11(17)19-14-8-9-16(20-12(2)18)15(10-14)13-6-4-3-5-7-13/h3-10H,1-2H3
3.InChIKey: DZVDHXPXHBVBNZ-UHFFFAOYAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
| rat | LCLo | inhalation | 20mg/m3/4H (20mg/m3) | | National Technical Information Service. Vol. OTS0534855, |
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