CAS No.24589-99-9,METHYL 3-FORMYL-4-HYDROXYBENZOATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	24589-99-9
Name:	METHYL 3-FORMYL-4-HYDROXYBENZOATE
Article Data:	44

Formula:	C₉H₈O₄
Molecular Weight:	180.16
Synonyms:	Isophthalaldehydicacid, 4-hydroxy-, methyl ester (6CI,8CI);5-(Methoxycarbonyl)salicylaldehyde;5-Carbomethoxysalicylaldehyde;Methyl 3-formyl-4-hydroxybenzoate;
EINECS:	625-799-9
Density:	1.311 g/cm³
Melting Point:	80-84 °C
Boiling Point:	299.287 °C at 760 mmHg
Flash Point:	120.527 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26
PSA:	63.60000
LogP:	0.99130

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Specification

The Benzoic acid,3-formyl-4-hydroxy-, methyl ester, with the CAS registry number 24589-99-9, has the systematic name of methyl 3-formyl-4-hydroxybenzoate. It is a kind of harmful chemcial, and the molecular formula of this chemical is C₉H₈O₄.

The physical properties of Benzoic acid,3-formyl-4-hydroxy-, methyl ester are as following: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 46.66 cm³; (9)Molar Volume: 137.4 cm³; (10)Polarizability: 18.49×10^-24cm³; (11)Surface Tension: 53.8 dyne/cm; (12)Density: 1.31 g/cm³; (13)Flash Point: 120.5 °C; (14)Enthalpy of Vaporization: 56.08 kJ/mol; (15)Boiling Point: 299.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000677 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(ccc1O)C(=O)OC
(2)InChI: InChI=1/C9H8O4/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-5,11H,1H3
(3)InChIKey: ADSJCWKOKYOJSZ-UHFFFAOYAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1900mg/kg (1900mg/kg)		Farmaco. Vol. 46, Pg. 669, 1991.