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110-38-3 molecular structure
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ethyl decanoate

ChemBase ID: 103093
Molecular Formular: C12H24O2
Molecular Mass: 200.31776
Monoisotopic Mass: 200.17763001
SMILES and InChIs

SMILES:
CCCCCCCCCC(=O)OCC
Canonical SMILES:
CCCCCCCCCC(=O)OCC
InChI:
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChIKey:
RGXWDWUGBIJHDO-UHFFFAOYSA-N

Cite this record

CBID:103093 http://www.chembase.cn/molecule-103093.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl decanoate
IUPAC Traditional name
ethyl decanoate
Synonyms
ETHYL CAPRATE
Ethyl caprinate
Ethyl decylate
Capric acid ethyl ester
Decanoic acid ethyl ester
Ethyl decanoate
Ethyl caprate
Ethyl decanoate
CAPRIC ACID ETHYL ESTER
Ethyl decanoate
正癸酸乙酯
羊蜡酸乙酯
癸酸乙酯
CAS Number
110-38-3
EC Number
203-761-9
MDL Number
MFCD00009581
Beilstein Number
1762128
Merck Index
143776
PubChem SID
24852827
162091215
24848927
24901075
24901074
PubChem CID
8048
Chemspider ID
7757
FEMA ID
2432
Wikipedia Title
Ethyl_decanoate
Council of Europe Number
309
309c
Flavis Number
9.059

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0918727  LogD (pH = 7.4) 4.0918727 
Log P 4.0918727  Molar Refractivity 58.9953 cm3
Polarizability 23.596272 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
-20°C expand Show data source
-26°C expand Show data source
Boiling Point
224 °C(lit.) expand Show data source
245 °C(lit.) expand Show data source
245°C expand Show data source
250-252°C expand Show data source
Flash Point
102 °C expand Show data source
102°C(216°F) expand Show data source
215.6 °F expand Show data source
Density
0.862 expand Show data source
0.862 g/cm3 expand Show data source
0.862 g/ml expand Show data source
0.862 g/mL at 25 °C expand Show data source
0.864 g/mL at 20 °C(lit.) expand Show data source
0.865 g/mL at 25 °C expand Show data source
Refractive Index
1.4250 expand Show data source
n20/D 1.425 expand Show data source
n20/D 1.425(lit.) expand Show data source
Vapor Density
6.9 (vs air) expand Show data source
Organoleptic
grape; oily; pear expand Show data source
grape; oily; wine-like expand Show data source
Storage Condition
2-8°C expand Show data source
RTECS
HD9420000 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
Download expand Show data source
German water hazard class
2 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) 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% expand Show data source
≥99.0% (GC) expand Show data source
95+% 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
puriss. expand Show data source
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
CH3(CH2)8COOC2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05208771 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - W243213 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4, 9 kg in poly drum
Sigma Aldrich - 148970 external link
Packaging
100, 500 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - W243205 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
4, 9, 20 kg in poly drum

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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