Basic information
- CAS
1504-74-1- Standard SMILES
COc1ccccc1/C=C/C=O- InChIKey
KKVZAVRSVHUSPL-GQCTYLIASA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Overview
Cassiastearoptene is a member of cinnamaldehydes.
Names & identifiers
- Preferred name
- O-Methoxycinnamaldehyde, (E)-
- IUPAC
- (E)-3-(2-methoxyphenyl)prop-2-enal
- English name
- FEMA 3181
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
(E)-2-methoxycinnamaldehydeO-Methoxycinnamaldehyde, (E)-UNII-3GG2B2MUHB3GG2B2MUHB2-propenal, 3-(2-methoxyphenyl)-, (2E)-(2E)-3-(2-Methoxyphenyl)-2-propenalTRANS-O-METHOXYCINNAMALDEHYDEO-METHOXYCINNAMALDEHYDE, (2E)-2-PROPENAL, 3-(2-METHOXYPHENYL)-, (E)-RefChem:439882'-METHOXYCINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSIA BARK)2'-METHOXYCINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM VERUM BARK)
Show more names
FEMA 3181AKOS BBS-00003213O-METHOXYCINNAMALDEHYDEO-METHOXY CINNAMIC ALDEHYDE2-PROPENYL-3(2-METHOXYPHENOL)ORTHO-METHOXY CINNAMIC ALDEHYDE
2-Methoxycinnamaldehyde60125-24-81504-74-1(E)-3-(2-Methoxyphenyl)acrylaldehydeo-Methoxycinnamic aldehyde(2E)-3-(2-Methoxyphenyl)Prop-2-Enal3-(2-Methoxyphenyl)acrylaldehydetrans-2-Methoxycinnamaldehyde
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Solubilityvery slightly
Boiling Point160.00 to 161.00 °C. @ 12.00 mm Hg
Melting Point45 - 46 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 44 · 44-48 °C(lit.)
- Boiling point
- 160 · 160-161 °C12 mm Hg(lit.)
- Density
- 1.0281 · 1.0281 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Appearance
- White to light yellow Solid
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 87.1% (263 of 302) of all reports.
Warning
H315 (12.9%): Causes skin irritation [Warning Skin corrosion/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 302 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and Categories
Skin Irrit. 2 (12.9%)
Skin Irrit. 2 (100%)
Safety data
- wgk
- 2
- rtecs
- GD6590000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Methoxycinnamal in the following categories is provided:
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Upstream & downstream products
Upstream raw materials
Suppliers19 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
湖北丹鼎医药科技有限公司17701422019 17701422019 · [email protected]
Related reactions
6 records
Compound notes
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