Isopropyl cinnamate - ≥98% , CAS No.7780-06-5

CAS: 7780-06-5 Cat. No.: I101492 Molecular Weight: 190.24 Beilstein Registry Number: 9(2)387 EC Number: 231-949-0
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
trans-Cinnamic acid isopropyl ester | 2-09-00-00387 (Beilstein Handbook Reference) | Isopropyl (E)-3-phenyl-2-propenoate | 6RWC10BDD7 | Isopropyl cinnamate | Iso-propyl cinnamate | Isopropyl cinnamate, >=96%, FG | AKOS015839127 | A839200 | DTXSID3064809 |
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
I101492-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$9.90

$14.90
Save $5.00 (33.56%)
25g
I101492-25g
8

$17.90

$26.90
Save $9.00 (33.46%)
100g
I101492-100g
5

$53.90

$80.90
Save $27.00 (33.37%)
500g
I101492-500g
2

$176.90

$265.90
Save $89.00 (33.47%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
trans-Cinnamic acid isopropyl ester | 2-09-00-00387 (Beilstein Handbook Reference) | Isopropyl (E)-3-phenyl-2-propenoate | 6RWC10BDD7 | Isopropyl cinnamate | Iso-propyl cinnamate | Isopropyl cinnamate, >=96%, FG | AKOS015839127 | A839200 | DTXSID3064809 |
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488195193
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195193
Canonical SmilesCC(C)OC(=O)C=CC1=CC=CC=C1
IUPAC Namepropan-2-yl (E)-3-phenylprop-2-enoate
InChIKeyRGACABDFLVLVCT-CMDGGOBGSA-N
INCHI1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
Isomeric SMILES CC(C)OC(=O)/C=C/C1=CC=CC=C1
WGK Germany 2
RTECS GD9625000
Molecular Weight 190.24
Beilstein 9(2)387
Reaxy-Rn 1908938
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1908938&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassCinnamic acids and derivatives
SubclassCinnamic acid esters
Intermediate Tree Nodes Not available
Direct ParentCinnamic acid esters
Alternative Parents Styrenes  Fatty acid esters  Enoate esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Cinnamic acid ester - Styrene - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Burkholderia cepacia (649 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterobacter cloacae (7976 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Micrococcus luteus (7463 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pichia kudriavzevii (7448 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichophyton rubrum (3646 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus parasiticus (296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Athelia rolfsii (768 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brassica rapa subsp. chinensis (182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hylobius abietis (106 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus sydowii (55 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
B2226608Certificate of AnalysisDec 12, 2025 I101492
B2226607Certificate of AnalysisDec 12, 2025 I101492
B2226586Certificate of AnalysisDec 12, 2025 I101492
F1306050Certificate of AnalysisJan 21, 2025 I101492
D23142376Certificate of AnalysisMar 03, 2022 I101492
Chemical and Physical Properties
SensitivityAir Sensitive
Refractive Index1.545
Flash Point(°F)110 °C
Flash Point(°C)110 °C
Boil Point(°C)273°C
Molecular Weight190.240 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass190.099 Da
Monoisotopic Mass190.099 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count14
Formal Charge0
Complexity200.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
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