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1754-62-7 molecular structure
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methyl (2E)-3-phenylprop-2-enoate

ChemBase ID: 110912
Molecular Formular: C10H10O2
Molecular Mass: 162.1852
Monoisotopic Mass: 162.06807956
SMILES and InChIs

SMILES:
COC(=O)/C=C/c1ccccc1
Canonical SMILES:
COC(=O)/C=C/c1ccccc1
InChI:
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
InChIKey:
CCRCUPLGCSFEDV-UHFFFAOYSA-N

Cite this record

CBID:110912 http://www.chembase.cn/molecule-110912.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2E)-3-phenylprop-2-enoate
methyl 3-phenylprop-2-enoate
IUPAC Traditional name
methyl cinnamate
Synonyms
Methyl cinnamate
Methyl trans-cinnamate
Cinnamic acid methyl ester
Methyl cinnamate, predominantly trans
METHYLCINNAMATE
Methyl cinnamate
肉桂酸甲酯
反式-肉桂酸甲酯
肉硅酸甲酯, 主体成分为反式
CAS Number
1754-62-7
103-26-4
EC Number
203-093-8
MDL Number
MFCD00008458
Beilstein Number
386468
Merck Index
142299
PubChem SID
162103237
24901265
24850436
24901266
24890294
PubChem CID
637520
CHEMBL
55060
FEMA ID
2698
Wikipedia Title
Methyl_cinnamate
Council of Europe Number
333c
333
Flavis Number
9.74

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5153136  LogD (pH = 7.4) 2.5153136 
Log P 2.5153136  Molar Refractivity 47.829 cm3
Polarizability 18.29027 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Insoluble in water expand Show data source
Melting Point
33-38 °C(lit.) expand Show data source
34 - 38°C expand Show data source
34-37°C expand Show data source
34-38 °C(lit.) expand Show data source
Boiling Point
260-262 °C(lit.) expand Show data source
261 - 262°C expand Show data source
262-264°C expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
110°C (230°F) > expand Show data source
113 °C expand Show data source
123°C(253°F) expand Show data source
235.4 °F expand Show data source
Density
1.042 expand Show data source
1.092 g/cm3 expand Show data source
Refractive Index
1.5770 expand Show data source
Organoleptic
balsam; fruity; strawberry expand Show data source
RTECS
GE0190000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Safety Statements
S22 S24/25 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
FCC expand Show data source
FDA 21 CFR (172.515) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥98% expand Show data source
≥99.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
FG expand Show data source
Halal expand Show data source
Kosher expand Show data source
natural expand Show data source
NI expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5CH=CHCO2CH3 expand Show data source
C6H5CH=CHCOOCH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05216945 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - W269808 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
10, 25 kg in poly drum
Sigma Aldrich - 96410 external link
Packaging
100 g in poly bottle
Sigma Aldrich - W269816 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
25, 100 g in poly bottle
Sigma Aldrich - 173282 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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