CAS No.13331-19-6,2-Propylbenzene-1,3-diol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13331-19-6
Name:	2-Propylbenzene-1,3-diol
Article Data:	13

Formula:	C₉H₁₂O₂
Molecular Weight:	152.193
Synonyms:	Resorcinol,2-propyl- (7CI,8CI);1,3-Dihydroxy-2-propylbenzene;2-Propylresorcin;2-Propylresorcinol;NSC 95252;
Density:	1.122 g/cm³
Melting Point:	101-103 °C
Boiling Point:	302.907 °C at 760 mmHg
Flash Point:	149.13 °C
Solubility:	Solightly soluble in water.
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	40.46000
LogP:	2.05030

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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