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1338-39-2 molecular structure
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2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl dodecanoate

ChemBase ID: 302271
Molecular Formular: C18H34O6
Molecular Mass: 346.45896
Monoisotopic Mass: 346.23553881
SMILES and InChIs

SMILES:
CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O
Canonical SMILES:
CCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O
InChI:
InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3
InChIKey:
LWZFANDGMFTDAV-UHFFFAOYSA-N

Cite this record

CBID:302271 http://www.chembase.cn/molecule-302271.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl dodecanoate
IUPAC Traditional name
sorbitan monolaurate
Synonyms
Sorbitan monododecanoate
Span? 20
Sorbitan monolaurate
单月桂酸脱水山梨(糖)酯
CAS Number
1338-39-2
EC Number
215-663-3
MDL Number
MFCD00005365
Merck Index
148724

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L12099 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.746294  H Acceptors
H Donor LogD (pH = 5.5) 2.5744638 
LogD (pH = 7.4) 2.574462  Log P 2.574464 
Molar Refractivity 90.0809 cm3 Polarizability 36.516968 Å3
Polar Surface Area 96.22 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Flash Point
>110°C(230°F) expand Show data source
Density
1.032 expand Show data source
Refractive Index
1.4740 expand Show data source
RTECS
WG2920000 expand Show data source
TSCA Listed
expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • Span is a registered trademark of ICI Group.
  • • Nonionic surfactant.
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PATENTS

PATENTS

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INTERNET

INTERNET

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