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33018-91-6

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Basic Information
CAS No.: 33018-91-6
Name: BOC-HIS(TOS)-MERRIFIELD RESIN
Article Data: 10
Molecular Structure:
Molecular Structure of 33018-91-6 (BOC-HIS(TOS)-MERRIFIELD RESIN)
Formula: C9H16O4
Molecular Weight: 188.224
Synonyms: Heptanedioicacid, monoethyl ester (9CI);Pimelic acid, ethyl ester (6CI);Pimelic acid,monoethyl ester (8CI);Ethyl hydrogen pimelate;Monoethyl heptanedioate;Monoethyl pimelate;
EINECS: 251-346-6
Density: 1.074 g/cm3
Melting Point: 10 °C
Boiling Point: 288.705 °C at 760 mmHg
Flash Point: 108.025 °C
Solubility: Not miscible or difficult to mix with water.
Hazard Symbols: R36/38:Irritating to eyes and skin.;
Risk Codes: 36/38
Safety: 26-36
PSA: 63.60000
LogP: 1.58460
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Chemistry

Molecular Formula of Ethyl hydrogen heptane-1,7-dioate (CAS NO.33018-91-6): C9H16O4
Molar mass: 188.2209 g/mol
Nominal Mass: 188 Da 
Average Mass: 188.2209 Da 
Monoisotopic Mass: 188.104859 Da
EINECS: 251-346-6
Density: 1.074 g/cm3
Flash Point: 108 °C
Index of Refraction: 1.449
Boiling Point: 288.7 °C at 760 mmHg
Vapour Pressure: 0.000581 mmHg at 25°C
Structure of Ethyl hydrogen heptane-1,7-dioate (CAS NO.33018-91-6):

XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 4
IUPAC Name of Ethyl hydrogen heptane-1,7-dioate (CAS NO.33018-91-6): 7-Ethoxy-7-oxoheptanoic acid
Canonical SMILES: CCOC(=O)CCCCCC(=O)O
InChI: InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11) 
InChIKey: NQYXFXWKKYGBNL-UHFFFAOYSA-N

Specification

Ethyl hydrogen heptane-1,7-dioate ,its cas register number is 33018-91-6.It also can be called Boc-methr(bzl)-OH ; Monoethyl pimelate ; Ethyl hydrogen pimelate and Heptanedioic acid monoethyl ester .