Methyl 3-formyl-4-hydroxybenzoate supplier

Name
METHYL 3-FORMYL-4-HYDROXYBENZOATE
EINECS 625-799-9
CAS No. 24589-99-9
Article Data44
CAS DataBase
Density 1.311 g/cm³
Solubility
Melting Point 80-84 °C
Formula C₉H₈O₄
Boiling Point 299.287 °C at 760 mmHg
Molecular Weight 180.16
Flash Point 120.527 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Isophthalaldehydicacid, 4-hydroxy-, methyl ester (6CI,8CI);5-(Methoxycarbonyl)salicylaldehyde;5-Carbomethoxysalicylaldehyde;Methyl 3-formyl-4-hydroxybenzoate;
PSA 63.60000
LogP 0.99130

Methyl 3-formyl-4-hydroxybenzoate 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.

Product Name

METHYL 3-FORMYL-4-HYDROXYBENZOATE

Methyl 3-formyl-4-hydroxybenzoate Specification

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