Basic information
- CAS
7249-16-3- Standard SMILES
CC(=O)Oc1ccc(CCC(=O)O)cc1- InChIKey
YQPHNMWXZLUIJX-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Overview
3-(4'-acetoxyphenyl)propionic acid is a monocarboxylic acid that is propionic acid substituted by a 4'-acetoxyphenyl group at position 3. It is a monocarboxylic acid and an acetate ester.
Names & identifiers
- Preferred name
- 3-(4-Acetoxyphenyl)propanoic acid
- IUPAC
- 3-(4-acetyloxyphenyl)propanoic acid
- English name
- beta-(4-Acetoxyphenyl)propionic acid
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
7249-16-33-(4-Acetoxyphenyl)propanoic acidBETA-(4-ACETOXYPHENYL)PROPIONIC ACID3-[4-(acetyloxy)phenyl]propanoic acid3-(4-acetyloxyphenyl)propanoic acidMFCD00016556NSC420034-Acetoxyhydrocinnamic acid3-(4'-acetoxyphenyl)propionic acidAC1L5ZTQBenzenepropanoic acid, 4-(acetyloxy)-3-(4-acetoxyphenyl)propionic acid
Show more names
β-(4-Acetoxyphenyl)propionic Acid
3-(4-Acetoxyphenyl)bmse010065SCHEMBL2635246CHEBI:86581DTXSID90285460?-(4-Acetoxyphenyl)propionic acidNSC-42003AKOS015837860
Database identifiers
- CAS
7249-16-3- PubChem CID
- 237913
- DTXSID
DTXSID90285460- ChEBI
CHEBI:86581- Nikkaji
- J865.561H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 94 · 94-95 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 355.4 · 355.4±25.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.62 · 4.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers24 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
四川义研药物研究有限公司19949968070; 19949968070 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
合肥启明医药科技有限公司15105695099
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
南京贝开思医药科技有限公司+86-13912903754 13912903754 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京汉海征程医药科技有限公司15850673134 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 3-(4'-acetoxyphenyl)propionic acid is a monocarboxylic acid that is propionic acid substituted by a 4'-acetoxyphenyl group at position 3. It is a monocarboxylic acid and an acetate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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