Basic information
- CAS
7448-86-4- Standard SMILES
C=CC(=O)c1ccc(OC)cc1- InChIKey
YMESWDPSFKMFND-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 4'-Methoxyacrylophenone
- IUPAC
- 1-(4-methoxyphenyl)prop-2-en-1-one
- English name
- 1-(4-methoxyphenyl)prop-2-en-1-one
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
4'-Methoxyacrylophenone7448-86-41'-Oxoestragolep-Methoxyacrylophenone1-(4-Methoxyphenyl)-2-propen-1-onep-Methoxyphenyl vinyl ketone2-Propen-1-one, 1-(4-methoxyphenyl)-ACRYLOPHENONE, 4'-METHOXY-BRN 2041093UNII-A8M9Z5074SA8M9Z5074SDTXSID90225482
Show more names
4-08-00-00887 (Beilstein Handbook Reference)1-(P-METHOXYPHENYL)-2-PROPEN-1-ONERefChem:96029DTXCID901479732-Propen-1-one, 1-(4-methoxyphenyl)-(9CI)YMESWDPSFKMFND-UHFFFAOYSA-N1-(4-methoxyphenyl)prop-2-en-1-oneMFCD01673932
Database identifiers
- CAS
7448-86-4- PubChem CID
- 24017
- DTXSID
DTXSID90225482- UNII
- A8M9Z5074S
- EC Number
- 838-841-8
- Nikkaji
- J863.707E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 165.5 °C · 165.5 °C
- Boiling point
- 228.88 °C · 228.88°C (rough estimate)
- Density
- 1.0281 · 1.0281 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Low-Melting Solid
- color
- Pale Beige to Beige
- FDA UNII
- 8 M9Z5074S · A8M9Z5074S
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H351-H315-H319-H317
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Toxicity
- 49700 mg/kg/4D-I:CAR · TDLo ipr-mus: 49700 mg/kg/4D-I:CAR CNREA8 47,2275,87
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- TDLo ipr-mus: 49700 mg/kg/4D-I:CAR CNREA8 47,2275,87
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302-H335-H351-H315-H319-H317
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers11 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
贵州谦一科技有限责任公司16651422671 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
上海银林医药科技有限公司15000379094 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
Henan Lavoisier Chemical Products Co.Ltd+86-86-37163682289 +8615981966935 · [email protected]
Related reactions
1 records
Compound notes
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