alpha-Phenylcinnamic acid, (E)-

HCID 700620
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Basic information

CAS
3368-16-9
Standard SMILES
O=C(O)/C(=C/c1ccccc1)c1ccccc1
InChIKey
BIDDLDNGQCUOJQ-SDNWHVSQSA-N
Molecular formula
C15H12O2
Average molar mass
224.25 g/mol
Monoisotopic mass
224.08372962

Names & identifiers

Preferred name
alpha-Phenylcinnamic acid, (E)-
IUPAC
(E)-2,3-diphenylprop-2-enoic acid
English name
alpha-Phenylcinnamic acid
Molecular formula
C15H12O2
Molecular weight
224.26

Names & synonyms

alpha-Phenylcinnamic acid91-48-5(E)-2,3-Diphenylacrylic Acid2,3-diphenylacrylic acid2,3-diphenylprop-2-enoic acid(E)-2,3-Diphenylpropenoic acid(e)-alpha-phenylcinnamic acidtrans-alpha-Phenylcinnamic Acidtrans-2,3-Diphenylacrylic acidalpha-Phenylcinnamic acid, (E)-trans-2,3-Diphenylpropenoic acidtrans-.alpha.-Phenylcinnamic acid
Show more names
TIMTEC-BB SBB007748α-Phenylciamic acid-PhenylcinnamicAcidA-PHENYLCINNAMIC ACIDà-phenylcinnamic acidα-Phenylcinnamic AcidPhenylcinnamicacid,98%α-PhenylcinnamicAcid>
EINECS 202-069-4(E)-.alpha.-Stilbenecarboxylic acid(E)-.alpha.-Phenylcinnamic acid0PKH62904BBenzeneacetic acid, alpha-(phenylmethylene)-.alpha.-Phenylcinnamic acid, (E)-NSC-83528Acrylic acid, 2,3-diphenyl-, (E)-

Database identifiers

CAS
3368-16-9、91-48-5
PubChem CID
700620
DTXSID
DTXSID00871015
ChEMBL
CHEMBL1980291
UNII
0PKH62904B
EC Number
202-069-4、840-968-9
Nikkaji
J3.924A、J414.332I

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
17

Physicochemical properties

Melting point
172 · 172-174 °C(lit.)
Boiling point
325.66 °C · 325.66°C (rough estimate)
Density
1.198 · 1.198
refractive index
1.653 · 1.6530 (estimate)
form
powder to crystal
pka
4.8 in · 4.8 in 60% ethanol

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (83.3%)

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29163990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Usesα-Phenylcinnamic Acid, is a 2,3-Diarylpropenoic Acid, which is a selective non-steroidal inhibitors of type-5 17β-hydroxysteroid dehydrogenase (AKR1C3).

Upstream & downstream products

Suppliers51 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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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