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1120-25-8 molecular structure
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methyl hexadec-9-enoate

ChemBase ID: 104468
Molecular Formular: C17H32O2
Molecular Mass: 268.43478
Monoisotopic Mass: 268.24023026
SMILES and InChIs

SMILES:
CCCCCC/C=C/CCCCCCCC(=O)OC
Canonical SMILES:
CCCCCC/C=C/CCCCCCCC(=O)OC
InChI:
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3
InChIKey:
IZFGRAGOVZCUFB-UHFFFAOYSA-N

Cite this record

CBID:104468 http://www.chembase.cn/molecule-104468.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl hexadec-9-enoate
methyl (9E)-hexadec-9-enoate
IUPAC Traditional name
methyl hexadec-9-enoate
methyl (9E)-hexadec-9-enoate
Synonyms
Methyl trans-9-hexadecenoate
Palmitelaidic acid methyl ester
Methyl palmitoleate
PALMITOLEIC ACID METHYL ESTER
Methyl palmitelaidate
PALMITELAIDIC ACID METHYL ESTER
Methyl palmitelaidate
Methyl cis-9-hexadecenoate
Palmitoleic acid methyl ester
Methyl palmitoleate
反-9-十六碳烯酸甲酯
反-棕榈烯酸甲酯
反-棕榈油酸甲酯
棕榈油酸甲酯
顺式-9-十六碳烯酸甲酯
棕榈油酸甲酯
CAS Number
1120-25-8
10030-74-7
EC Number
214-303-2
MDL Number
MFCD00070000
MFCD00042911
Beilstein Number
2048137
1726111
PubChem SID
24898084
24886937
162091542
24886956
PubChem CID
638303

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.040555  LogD (pH = 7.4) 6.040555 
Log P 6.040555  Molar Refractivity 82.9693 cm3
Polarizability 32.580856 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Melting Point
-0.5-0.5 °C(lit.) expand Show data source
Boiling Point
180-183 °C/1 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.875 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.451 expand Show data source
n20/D 1.451(lit.) expand Show data source
Storage Condition
0°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
German water hazard class
1 expand Show data source
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥98.5% (GC) expand Show data source
≥99.0% (GC) expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3(CH2)5CH=CH(CH2)7COOCH3 expand Show data source
Empirical Formula (Hill Notation)
C17H32O2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02156048 external link
Purity (GC): >99%
MP Biomedicals - 02156032 external link
Purity: 99%
Sigma Aldrich - P0203 external link
包装
Sealed ampule.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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