Phenethyl caffeate CAS#: 104594-70-9; ChemWhat Code: 55786

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NamePhenethyl caffeate
IUPAC Name2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular StructurePhenethyl-caffeate-CAS-104594-70-9
CAS Registry Number 104594-70-9
EINECS Number627-151-0
MDL NumberMFCD00866470
SynonymsCaffeic acid phenethyl ester
Phenethyl caffeate
104594-70-9
CAPE
Phenylethyl caffeate
115610-29-2
phenethyl 3-(3,4-dihydroxyphenyl)acrylate
Capeee
100981-80-4
PHENETHYL CAFFEATE (CAPE)
caffeic acid phenylethyl ester
2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate
2-phenylethyl caffeate
(E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
CHEBI:8062
CHEMBL319244
G960R9S5SK
MFCD00866470
2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
SMR000326751
Caffeic acid-phenethyl ester
Phenethyl (E)-caffeate
SR-01000075785
phenethyl 3,4-dihydroxycinnamate
UNII-G960R9S5SK
3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester
Caffeic acid ester
QAP
2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
caffeic acidphenethylester
caffeic acid phenethylester
caffeic-acid-phenethyl-ester
caffeic acid phenylethylester
Lopac0_000269
Phenylethyl caffeate, (E)-
BSPBio_001560
BSPBio_003586
MLS000859889
MLS002207297
Caffeic acid-phenylethyl ester
SPECTRUM1502209
2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
phenethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CHEBI:93478
DTXSID80861176
PHENETHYL CAFFEATE [INCI]
FR102
HMS1361N22
HMS1791N22
HMS1989N22
HMS2233J04
HMS3260F20
HMS3402N22
HMS3413D22
HMS3649C16
HMS3677D22
Phenylethyl 3,4-dihydroxycinnamate
Caffeic acid beta-phenylethyl ester
Trans-Caffeic Acid Phenethyl Ester
BCP27877
Caffeic acid phenethyl ester(CAPE)
HY-N0274
Tox21_500269
BDBM50029207
CCG-39542
s7414
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (E)-
AKOS015888207
AC-8896
LP00269
SDCCGSBI-0050257.P002
IDI1_034030
QTL1_000016
NCGC00093727-01
NCGC00093727-02
NCGC00093727-03
NCGC00093727-04
NCGC00093727-05
NCGC00093727-06
NCGC00093727-07
NCGC00093727-08
NCGC00093727-09
NCGC00093727-16
NCGC00260954-01
1ST14259
AS-14021
LS-14562
CS-0008774
EU-0100269
SW219156-1
(E)-phenethyl3-(3,4-dihydroxyphenyl)acrylate
C 8221
C-1400
SR-01000075785-1
SR-01000075785-6
SR-01000075785-9
BRD-K84709232-001-02-6
BRD-K96188950-001-02-9
BRD-K96188950-001-04-5
Caffeic acid phenethyl ester, >=97% (HPLC), powder
Caffeic acid phenethyl esterCAPE; Phenylethyl caffeate
Q15410860
3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester
Methanone, 1,1′-(1,2-cyclopropanediyl)bis[1-phenyl-
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester
Molecular FormulaC17H16O4
Molecular Weight284.31
InChIInChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
InChI KeySWUARLUWKZWEBQ-VQHVLOKHSA-N
Isomeric SMILESC1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O

Physical Data

AppearanceSolid

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315 (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]
Precautionary Statement CodesP261, 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
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationStore at room temperature, sealed and away from light.
HS Code
StorageStore at room temperature, sealed and away from light.
Shelf Life1 year
Market Price
Use Pattern
Phenethylcaffeate CAS 104594-70-9 also known as Caffeic acid phenethyl ester (CAPE), is a natural compound found in honey and propolis. It possesses various biological activities.

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