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2-Propylbenzene-1,3-diol

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Name

2-Propylbenzene-1,3-diol

EINECS N/A
CAS No. 13331-19-6 Density 1.122 g/cm3
PSA 40.46000 LogP 2.05030
Solubility Solightly soluble in water. Melting Point 101-103 °C
Formula C9H12O2 Boiling Point 302.907 °C at 760 mmHg
Molecular Weight 152.193 Flash Point 149.13 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 13331-19-6 (2-Propylbenzene-1,3-diol) Hazard Symbols R36/37/38:;
Synonyms

Resorcinol,2-propyl- (7CI,8CI);1,3-Dihydroxy-2-propylbenzene;2-Propylresorcin;2-Propylresorcinol;NSC 95252;

Article Data 13

2-Propylbenzene-1,3-diol Specification

The 2-Propylbenzene-1,3-diol is an organic compound with the formula C9H12O2. The systematic name of this chemical is 2-propylbenzene-1,3-diol. With the CAS registry number 13331-19-6, it is also named as 1,3-Benzenediol, propyl-. The product's category is Phenyls & Phenyl-Het. Besides, it should be stored in a cool and well-ventilated place.

Physical properties about 2-Propylbenzene-1,3-diol are: (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): 2.136; (3)ACD/LogD (pH 7.4): 2.135; (4)ACD/BCF (pH 5.5): 24.745; (5)ACD/BCF (pH 7.4): 24.68; (6)ACD/KOC (pH 5.5): 346; (7)ACD/KOC (pH 7.4): 345.08; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 40.46 Å2; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 44.198 cm3; (14)Molar Volume: 135.617 cm3; (15)Polarizability: 17.522×10-24cm3; (16)Surface Tension: 46.258 dyne/cm; (17)Density: 1.122 g/cm3; (18)Flash Point: 149.13 °C; (19)Enthalpy of Vaporization: 56.486 kJ/mol; (20)Boiling Point: 302.907 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1c(cccc1O)O
(2)InChI: InChI=1/C9H12O2/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6,10-11H,2,4H2,1H3
(3)InChIKey: XDCMHOFEBFTMNL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H12O2/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6,10-11H,2,4H2,1H3
(5)Std. InChIKey: XDCMHOFEBFTMNL-UHFFFAOYSA-N

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