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141-22-0 molecular structure
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(9Z,12R)-12-hydroxyoctadec-9-enoic acid

ChemBase ID: 133860
Molecular Formular: C18H34O3
Molecular Mass: 298.46076
Monoisotopic Mass: 298.25079495
SMILES and InChIs

SMILES:
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O
Canonical SMILES:
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O
InChI:
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
InChIKey:
WBHHMMIMDMUBKC-QJWNTBNXSA-N

Cite this record

CBID:133860 http://www.chembase.cn/molecule-133860.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(9Z,12R)-12-hydroxyoctadec-9-enoic acid
IUPAC Traditional name
ricinoleic acid
Synonyms
Ricinoleic acid
(R)-12-羟基-顺-9-十八烯酸
12-羟油酸
蓖麻油酸
CAS Number
141-22-0
EC Number
205-470-2
MDL Number
MFCD00084840
Beilstein Number
1727813
PubChem SID
24899389
162228137
PubChem CID
643684

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
R7257 external link Add to cart Please log in.
Data Source Data ID
PubChem 643684 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.9881673  H Acceptors
H Donor LogD (pH = 5.5) 4.7691464 
LogD (pH = 7.4) 3.01549  Log P 5.39708 
Molar Refractivity 89.0717 cm3 Polarizability 34.769547 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds 15 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
224 °C expand Show data source
435.2 °F expand Show data source
Density
0.940 g/mL at 20 °C(lit.) expand Show data source
RTECS
VJ3150000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 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
Storage Temperature
-20°C expand Show data source
Purity
≥99% expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - R7257 external link
包装
Sealed ampule.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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