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ClassyFire Ontology
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| CATEGORY | QUALITY | THRESHOLD | OCCURENCE | REFERENCE |
|---|---|---|---|---|
| smell | soapy, citrus | 3.515e-5 µmol/L | details | |
| smell | 3.164e-5 µmol/L | hops | details | |
| smell | soapy, citrus | 3.515e-5 µmol/L | details | |
| smell | citrus-like, soapy | 1.969e-2 µmol/L | details | |
| smell | citrus-like, soapy | 5.624e-2 µmol/L | details | |
| smell | citrus-like, soapy | 1.969e-2 µmol/L | orange juice | details |
| smell | citrus-like, soap-like | 1.969e-2 µmol/L | cempedak | details |
| smell | citrus-like, soapy | 3.945e+0 µmol/L | olive oil | details |
| smell | fruty, fragnance | water | details | |
| smell | fruty, fragnance | 7.036e-3 µmol/L | water | details |
| Toxicity Summary |
|---|
| Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database |
| IDENTIFICATION AND USE: Nonanal is a colorless liquid. It is not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses. It is used in perfume industry and as a flavoring agent. HUMAN EXPOSURE AND TOXICITY: Ozone exposure resulted in a significant early increase in nonanal in the airway epithelial lining fluid of humans. Nonanal levels returned to baseline by 18 hr after exposure. Nonanal produced in vitro by ozonation of liposomes induced hemolysis of human red blood cells, and combination of nonanal and H2O2 was significantly more hemolytic than nonanal alone. It was negative for unscheduled DNA synthesis in adult human hepatocytes assay at 3-100 mM. ANIMAL STUDIES: Single dermal dose of nonanal 5 g/kg applied on 3 rabbits with intact skin and 3 rabbits with abraded skin produced one death and severe edema and burns at site of application. There was no evidence of embryotoxicity, fetal toxicity, or teratogenesis when pregnant female rats were given 1500 mg/kg bw/day of nonanoic acid (metabolite of nonanal on days 6-15 of pregnancy. It was positive for sister chromatid exchange in rat hepatocytes at 0.1-100 uM, and negative for unscheduled DNA synthesis in adult rat hepatocytes assay at 3-100 mM. It was positive for forward mutation assay in V79 Chinese hamster lung cells at 0.1-0.3 mM and negative in modified Ames test (preincubation method) using S. typhmiurium TA98, TA100 and TA1535 at 1-666 ug/plate. It was also negative in Ames test using S. typhmiurium TA102 and TA104 at up to 1 mg/plate, and negative in the chromosomal aberration test using rat hepatocytes at 0.4 ug/mL. |
| Source: DrugBank or Hazardous Substances Data Bank (HSDB) |
| Food Additive Safety (OFAS) |
|---|
| NONANAL is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report. |
| Receptor | REFERENCE | EC50 [µM] | Effective Concentration [µM] |
|---|---|---|---|
| OR1A1 | details | Activated | |
| OR1A2 | details | Activated | |
| OR1G1 | details | Activated | |
| OR2J2 | details | Activated | |
| OR2W1 | details | Activated | |
| OR52D1 | details | Activated |
| Spectrum Type | Spectrum View | Description | Polarity |
|---|---|---|---|
| Experimental GCMS | view | GCMS | positive |