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Home> Encyclopedia > Hot Product Listed A   > Anisic acid
100-09-4 structure

Anisic acid

Iupac Name:4-methoxybenzoic acid
CAS No.:100-09-4
EINECS(EC#): 202-818-5
Molecular Weight:152.15
Molecular Formula:C8H8O3 (isomer)
Names and Identifiers
Synonyms

4-methoxy-benzoicaci Anisic acid, para benzoicacid,4-methoxy- Draconic acid draconicacid Kyselina 4-methoxybenzoova kyselina4-methoxybenzoova RARECHEM AL BO 0059

Inchi
InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChkey
ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)C(=O)O
Properties
Appearance
white powder
Density
1.385
Melting Point
182-185 °C(lit.)
Boiling Point
275 °C
Vapour
0.002mmHg at 25°C
Refractive Index
1.571-1.576
Flash Point
185 °C
Solubility
Soluble AUTOIGNITION
Color/Form
White to slightly gray-beige
Other physical and chemical properties
Solid
Stability
Stable. Incompatible with strong oxidizing agents.
HS Code
29189090
Storage temp
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
Xi,Xn
Risk Statements
36/37/38-22
Safety Statements
26-36-24/25
Safety

Hazard Codes:?Xi
Risk Statements:?36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:?26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S24/25:Avoid contact with skin and eyes.
WGK Germany:? 1
RTECS:? BZ4395000
Hazard Note:? Irritant
HS Code:? 29189090

Toxicity

?

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 400mg/kg (400mg/kg) ? Cesko-Slovenska Farmacie. Vol. 31, Pg. 236, 1982.
?

Transport
25kgs
Specification

?Anisic acid , its cas register number is 100-09-4. It also can be called 4-Methoxybenzoic acid ; p-Methoxybenzoic acid ; and p-Anisic acid . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, Anisic acid (CAS NO.100-09-4) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:152.15g/mol
  • Molecular Formula:C8H8O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:152.047
  • Monoisotopic Mass:152.047
  • Complexity:136
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAIyDoAABgCI AiDSCAACCAAkIAAIiAEGCMgMJjKENRqAcSAkwBEIuYeI7CzOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:0086-431-81915458
  • Fax:0086-431-81915458
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-1561403-1352
  • Fax:+86-1561403-1352
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:00-86-18132658905
  • Fax:0086-311-88888888
 
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