CAS No.135-02-4,o-Anisaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135-02-4
Name:	o-Anisaldehyde
Article Data:	478

Formula:	C₈H₈O₂
Molecular Weight:	136.15
Synonyms:	Benzaldehyde,o-methoxy- (3CI);o-Anisaldehyde (8CI);2-(Methyloxy)benzaldehyde;2-Anisaldehyde;2-Methoxybenzaldehyde;2-Methoxybenzenecarboxaldehyde;2-Methoxyphenylformaldehyde;6-Methoxybenzaldehyde;NC 064;NSC 58960;Salicylaldehyde methyl ether;o-Formylanisole;o-Methoxybenzaldehyde;
EINECS:	205-171-7
Density:	1.088 g/cm³
Melting Point:	34-40 °C(lit.)
Boiling Point:	243.5 °C at 760 mmHg
Flash Point:	100.7 °C
Solubility:	insoluble in water
Appearance:	light yellow to pale brown
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26-36/37/39
PSA:	26.30000
LogP:	1.50770

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The o-Anisaldehyde, with the CAS registry number 135-02-4, has the IUPAC name of 2-methoxybenzaldehyde. For being a kind of light yellow to pale brown chemical, it is insoluble in water and is sensitive to air. Its product categories are including Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde. As to its production, it could be produces from the methylation reaction of salicylic aldehyde and dimethyl sulfate.

The characteristics of this chemical are as below: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.3; (9)Index of Refraction: 1.547; (10)Molar Refractivity: 39.68 cm³; (11)Molar Volume: 125.1 cm³; (12)Polarizability: 15.73 ×10^-24 cm³; (13)Surface Tension: 37.2 dyne/cm; (14)Density: 1.088 g/cm³; (15)Flash Point: 100.7 °C; (16)Enthalpy of Vaporization: 48.05 kJ/mol; (17)Boiling Point: 243.5 °C at 760 mmHg; (18)Vapour Pressure: 0.032 mmHg at 25°C; (19)Exact Mass: 136.05243; (20)MonoIsotopic Mass: 136.05243; (21)Topological Polar Surface Area: 26.3; (22)Heavy Atom Count: 10; (23)Complexity: 112.

As to its usage, it is widely applied in many ways. It could be used as the intermediate of organic synthesis and also in the preparation of spice and medicine; It could also be the intermediates for fluorescent whitening agent, triphenylmethane dyes and mothproofing agent.

When you are dealing with this chemical, you should be very cautious. It is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COC1=CC=CC=C1C=O
(2)InChI: InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
(3)InChIKey: PKZJLOCLABXVMC-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2400mg/kg (2400mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	National Technical Information Service. Vol. OTS0533625,
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 855, 1979.
rat	LD50	oral	2500mg/kg (2500mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 855, 1979.