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Basic information
- CAS
580-02-9- Standard SMILES
COC(=O)c1ccccc1OC(C)=O- InChIKey
ONWPLBKWMAUFGZ-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- Methyl acetylsalicylic acid
- IUPAC
- methyl 2-acetyloxybenzoate
- English name
- Acetylsalicylic acid methyl ester
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
Acetylsalicylic acid methyl esterMethyl aspirinMethyl acetylsalicylic acidRefChem:817989Methyl acetylsalicylate580-02-9Methyl 2-AcetoxybenzoateMethylrhodinemethyl 2-acetyloxybenzoateMethyl o-acetoxybenzoateAspirin methyl esterMethyl O-acetylsalicylate
Show more names
O-Acetylsalicylic acid methyl esterMethylrodinMetyl-rodinMetylrhodineMethylaspirinTIMTEC-BB SBB007836
Methyl rhodinMethyl 2-(acetyloxy)benzoateMethylacetylsalicylateSalicylic acid acetate, methyl esterBenzoic acid, 2-(acetyloxy)-, methyl esterMFCD000149782-Acetoxybenzoic Acid Methyl EsterNSC 403847
Database identifiers
- CAS
580-02-9- PubChem CID
- 68484
- DTXSID
DTXSID20206724- ChEMBL
CHEMBL163148- UNII
- 7FX481V180
- EC Number
- 209-450-4
- Nikkaji
- J7.432B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Kovats Retention Index1454
Physicochemical properties
- Melting point
- 50 °C · 50°C
- Boiling point
- 9 · bp9 134-136°
- Density
- 1.2534 · 1.2534 (rough estimate)
- refractive index
- 1.543 · 1.5430 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- 2.81 g/L · 2.81g/L(21 ºC)
- Merck
- 14 · 14,6010
- CAS DataBase Reference
- 580 · 580-02-9(CAS DataBase Reference)
- FDA UNII
- 7 FX481V180 · 7FX481V180
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2917399590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
UsesFixative for perfumes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers65 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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