220621-22-7

Name Pentanedioic acid, 1-[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester
CAS 220621-22-7
Molecular Formula C15H26O4
MDL Number MFCD13194764
Molecular Weight 270.36
MOL File 220621-22-7.mol
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Chemical Properties

Boiling point  393.4±25.0 °C(Predicted)
density  1.0318
FEMA  4006 | L-MONOMENTHYL GLUTARATE
pka 4.61±0.10(Predicted)
Odor minty menthol
Odor Type minty
JECFA Number 1414
Major Application flavors and fragrances
InChI InChI=1S/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKey CTMTYSVTTGVYAW-FRRDWIJNSA-N
SMILES C(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)(=O)CCCC(O)=O
LogP 3.96

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313P
WGK Germany  WGK 3
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2

Hazard Information

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