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11-METHYLDODECYL STEARATE

CAS Number:    31565-37-4    
European Community (EC) Number: 250-703-3
Molecular Weight:    466.823 g/mol
Common Name:    11-Methyldodecyl stearate
IUPAC Name:  11-methyldodecyl octadecanoate
Molecular Formula: C31H62O2

PHYSICAL AND CHEMICAL PROPERTIES OF 11-METHYLDODECYL STEARATE:
Density    0.9±0.1 g/cm3    
Boiling Point    489.8±13.0 °C at 760 mmHg
Molecular Formula:    C31H62O2
Flash Point:    255.5±9.7 °C
Exact Mass:    466.474976 g/mol
PSA:    26.30000
LogP:    14.87
Vapour Pressure:    0.0±1.2 mmHg at 25°C
Index of Refraction:    1.454
Molecular Weight:    466.8    
XLogP3-AA:    14.4    
Hydrogen Bond Donor Count:    0    
Hydrogen Bond Acceptor Count:    2    
Rotatable Bond Count:    28    
Exact Mass:    466.47498122    
Monoisotopic Mass:    466.47498122    
Topological Polar Surface Area:    26.3 Ų    
Heavy Atom Count:    33    
Formal Charge:    0    
Complexity:    377    
Isotope Atom Count:    0    
Defined Atom Stereocenter Count:    0    
Undefined Atom Stereocenter Count:    0    
Defined Bond Stereocenter Count:    0    
Undefined Bond Stereocenter Count:    0    
Covalently-Bonded Unit Count:    1    
Compound Is Canonicalized:    Yes
Density:    0.9±0.1 g/cm3
Boiling Point:    489.8±13.0 °C at 760 mmHg
Vapour Pressure:    0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization:    75.6±3.0 kJ/mol
Flash Point:    255.5±9.7 °C
Index of Refraction:    1.454
Molar Refractivity:    147.4±0.3 cm3
#H bond acceptors:    2
#H bond donors:    0
#Freely Rotating Bonds:    28
#Rule of 5 Violations:    1
ACD/LogP:    14.87
ACD/LogD (pH 5.5):    13.07
ACD/BCF (pH 5.5):    1000000.00
ACD/KOC (pH 5.5):    10000000.00
ACD/LogD (pH 7.4):    13.07
ACD/BCF (pH 7.4):    1000000.00
ACD/KOC (pH 7.4):    10000000.00
Polar Surface Area:    26 Å2
Polarizability:    58.4±0.5 10-24cm3
Surface Tension:    31.4±3.0 dyne/cm
Molar Volume:    544.1±3.0 cm3
APPEARANCE: Yellowish clear liquid
FUNCTION: Used in cosmetics for skin conditioning/moisturizing.
STORAGE: Store in a dark, cool, well-ventilated area.
Assay:~99% (GC)
Quality Level: 200
Form: powder
Bp: 181-182 °C/4 mmHg (lit.)
Mp: 37-41 °C (lit.)
functional group: ester
shipped in: ambient
storage temp. : −20°C

Application of 11-METHYLDODECYL STEARATE:
Methyl stearate has been used as a reference standard
•    in gas chromatography (GC) to evaluate the absolute amount of methyl stearate among the fatty acid methyl esters of biodiesel
•    to evaluate the intramuscular fatty acid profile of fresh lamb meat in GC
•    to qualitatively analyse the transesterification reaction products by thin layer chromatography


SAFETY INFORMATION ABOUT 11-METHYLDODECYL STEARATE:
First-aid measures:
Description of necessary first-aid measures
General advice
Consult a physician. 
Show this safety data sheet to the doctor in attendance.
If inhaled:
If breathed in, move person into fresh air. If not breathing, give artificial respiration. 
Consult a physician.
In case of skin contact:
Wash off with soap and plenty of water. 
Consult a physician.
In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed:
Never give anything by mouth to an unconscious person. 
Rinse mouth with water. 
Consult a physician.
Fire-fighting measures:
Extinguishing media:
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special protective actions for fire-fighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. 
Avoid dust formation. 
Avoid breathing vapours, mist or gas. 
Ensure adequate ventilation. 
Evacuate personnel to safe areas. 
Avoid breathing dust. 
Environmental precautions:
Prevent further leakage or spillage if safe to do so. 
Do not let product enter drains. 
Discharge into the environment must be avoided.
Methods and materials for containment and cleaning up
Pick up and arrange disposal. 
Sweep up and shovel. 
Keep in suitable, closed containers for disposal.
Handling and storage
Precautions for safe handling:
Avoid contact with skin and eyes. 
Avoid formation of dust and aerosols. 
Avoid exposure - obtain special instructions before use.
Provide appropriate exhaust ventilation at places where dust is formed. 
Conditions for safe storage, including any incompatibilities
Store in cool place.
Keep container tightly closed in a dry and well-ventilated place.
Exposure controls/personal protection
Control parameters
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. 
Wash hands before breaks and at the end of workday.
Individual protection measures, such as personal protective equipment (PPE)
Eye/face protection:
Safety glasses with side-shields conforming to EN166. 
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection:
Wear impervious clothing. 
The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. 
Handle with gloves. 
Gloves must be inspected prior to use. 
Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. 
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. 
Wash and dry hands. 
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.
Respiratory protection:
Wear dust mask when handling large quantities.


Synonyms of 11-METHYLDODECYL STEARATE:
Depositor-Supplied Synonyms    
Isotridecyl stearate

31565-37-4

Octadecanoic acid, isotridecyl ester

11-methyldodecyl octadecanoate

UNII-J8793TKA30

Octadecanoic acid,isotridecyl ester

J8793TKA30

Stearic acid, isotridecyl ester

EINECS 250-703-3

SCHEMBL2699239

Isotridecyl Stearate, veg. based

Stearic acid 11-methyldodecyl ester

ZINC95803367

W-110802

Q27281337

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