alpha-Phenylcinnamic acid, (E)-
Also known as alpha-Phenylcinnamic acid, (E)-2,3-Diphenylacrylic Acid, 2,3-diphenylacrylic acid
Key facts
What buyers check first
- CAS number
- 91-48-5
- Formula
- C15H12O2
- Molar mass
- 224.26 g/mol
- EC number
- 202-069-4
- HS code
- 291639
- Category
- Aromatic building blocks
What is alpha-Phenylcinnamic acid, (E)-?
Plain description, key identifiers and synonyms
alpha-Phenylcinnamic acid, (E)- is a chemical substance with the molecular formula C15H12O2 and a molar mass of 224.26 g/mol. Its CAS registry number is 91-48-5. The IUPAC name is (E)-2,3-diphenylprop-2-enoic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (E)-2,3-diphenylprop-2-enoic acid
- CAS number
- 91-48-5Other or deprecated CAS: 3368-16-9
- EC numbers
- 202-069-4, 840-968-9
- Molecular formula
- C15H12O2
- UNII
- 0PKH62904B
- MDL number
- MFCD00004252
- InChIKey
- BIDDLDNGQCUOJQ-SDNWHVSQSA-N
- InChI
- InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+
- Canonical SMILES
- O=C(O)C(=Cc1ccccc1)c1ccccc1
- Isomeric SMILES
- C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)O
Synonyms
- alpha-Phenylcinnamic acid
- (E)-2,3-Diphenylacrylic Acid
- 2,3-diphenylacrylic acid
- 2,3-diphenylprop-2-enoic acid
- (E)-2,3-Diphenylpropenoic acid
- (e)-alpha-phenylcinnamic acid
- trans-alpha-Phenylcinnamic Acid
- trans-2,3-Diphenylacrylic acid
- trans-2,3-Diphenylpropenoic acid
- (E)-alpha-Stilbenecarboxylic acid
- Benzeneacetic acid, alpha-(phenylmethylene)-
- Acrylic acid, 2,3-diphenyl-, (E)-
- (E)-2,3-Diphenyl-2-propenoic acid
- Benzeneacetic acid, alpha-(phenylmethylene)-, (E)-
- trans-2,3-Diphenyl-2-propenoic acid
- Acrylic acid, 2,3-diphenyl-, trans-
- alpha-phenylcinnamic acid trans-form
- (2E)-2,3-diphenylacrylic acid
- (2E)-2,3-diphenylprop-2-enoic acid
- (E)-2,3-diphenylprop-2-enoic acid
- alpha-Phenyl-trans-cinnamic acid
- E-2,3-diphenylpropenoic acid
- Atropic acid, beta-phenyl-
- alpha-Stilbenecarboxylic acid
- (E)-2,3-diphenyl-acrylic acid
Show all 29 synonymsShow fewer synonyms
- Acrylic acid,3-diphenyl-, (E)-
- 2-Phenylcinnamic acid
- alpha-Phenylcinnamate
- 2,3-diphenyl-acrylic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 224.26 g/molcalc.Computed value |
|---|---|
| Exact mass | 224.0837 Dacalc.Computed value |
| LogP (octanol/water) | 3.31calc.Computed value |
| Topological polar surface area | 37.3 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 17calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
C(=Cc1ccccc1)c1ccccc1
2 rings, 14 atoms, the Stilbene ring system.
2,005 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (16)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidalpha-Phenylcinnamic acid, (E)- suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Armenia, Yerevan ManufacturerUnclaimed profilealpha-Phenylcinnamic acidGrade, purity and minimum order on requestPrice on request
- Hong Kong, Hong KongUnclaimed profilealpha-Phenylcinnamic acidGrade, purity and minimum order on requestPrice on request
- United States, San DiegoUnclaimed profilealpha-Phenylcinnamic acidGrade, purity and minimum order on requestPrice on request
- United States, HainesportUnclaimed profilealpha-Phenylcinnamic acidGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
4 suppliers in 3 countries
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alpha-Phenylcinnamic acid, (E)- price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code alpha-Phenylcinnamic acid, (E)- is traded under.
Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids andโฆ
- India * partner reported14.5%
- United States12.2%
- Germany8.6%
* Partner reported figures, a lower bound.
The HS code shown for alpha-Phenylcinnamic acid, (E)- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about alpha-Phenylcinnamic acid, (E)-, based on the data on this page
What is alpha-Phenylcinnamic acid, (E)-?
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Is alpha-Phenylcinnamic acid, (E)- hazardous?
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Guides for buyers
Practical guides that help when you source, ship or handle alpha-Phenylcinnamic acid, (E)-
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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