111-81-9

Name METHYL 10-UNDECENOATE
CAS 111-81-9
EINECS(EC#) 203-910-8
Molecular Formula C12H22O2
MDL Number MFCD00016689
Molecular Weight 198.3
MOL File 111-81-9.mol
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Chemical Properties

Melting point  26-27℃
Boiling point  245 °C (lit.)
density  0.882 g/mL at 25 °C(lit.)
vapor pressure  2.1hPa at 25℃
FEMA  4253
refractive index  n20/D 1.437(lit.)
Fp  >230 °F
storage temp.  2-8°C
solubility  H2O: insoluble
form  clear liquid
color  Colorless to Light yellow
Specific Gravity 0.882
Odor at 100.00 %. fatty waxy citrus earthy fungal rose floral
biological source synthetic
Odor Type fatty
Water Solubility  794μg/L at 20℃
JECFA Number 1639
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
DEODORANT
InChI 1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
InChIKey KISVAASFGZJBCY-UHFFFAOYSA-N
SMILES COC(=O)CCCCCCCCC=C
LogP 5.3 at 20℃
CAS DataBase Reference 111-81-9(CAS DataBase Reference)
EPA Substance Registry System 10-Undecenoic acid, methyl ester (111-81-9)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H302+H332-H410
Precautionary statements  P261-P264-P270-P273-P301+P312-P304+P340+P312
Hazard Codes  Xn,N
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 3082 9 / PGIII
WGK Germany  3
TSCA  TSCA listed
REACH Registrations Active
HS Code  29161900
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1

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