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Substance Name: Citronellal
RN: 106-23-0
UNII: QB99VZZ7GZ
InChIKey: NEHNMFOYXAPHSD-UHFFFAOYSA-N
Note
- Aldehyde of citronellol; found in citronella oil.
Molecular Formula
- C10-H18-O
Molecular Weight
- 154.2512
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 3,7-Dimethyl-6-octenal
- 6-Octenal, 3,7-dimethyl-
- Citronellal
Synonyms
- 2,3-Dihydrocitral
- 3,7-Dimethyl-6-octen-1-al
- 3,7-Dimethyl-6-octenal
- 6-Octenal, 3,7-dimethyl-
- AI3-00203
- CCRIS 8421
- Citronella
- Citronella (natural)
- Citronellal
- Citronellel
- CITRONELLOL,(D)
- D-Rhodinal
- EC 203-376-6
- EINECS 203-376-6
- FEMA No. 2307
- HSDB 594
- NSC 46106
- Rhodinal
- Rhodinal (VAN)
- UNII-QB99VZZ7GZ
Systematic Names
- 6-Octenal, 3,7-dimethyl-
- Citronellal
- Poly((1,3a,4,6,7,7a-hexahydro-1,3-dioxo-3H-furo(3,4-c)pyran-4,6-diyl)(tetrahydro-2,5-dioxo-3,4-furandiyl)methylene) (9CI)
Superlist Names
- 6-Octenal, 3,7-dimethyl-
- Citronellal
Registry Numbers
CAS Registry Number
- 106-23-0
FDA UNII
- QB99VZZ7GZ
Other Registry Number
- 26489-02-1
System Generated Number
- 0000106230
Structure Descriptors
InChI
1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3InChIKey
NEHNMFOYXAPHSD-UHFFFAOYSA-NSmiles
C(CC/C=C(/C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 200mg/kg (200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0535480, |
| rabbit | LD50 | skin | > 2500mg/kg (2500mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 755, 1975. | |
| rat | LD50 | oral | 2420mg/kg (2420mg/kg) | National Technical Information Service. Vol. OTS0557726, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| log P (octanol-water) | 3.530 | (none) | EST | |
| Water Solubility | 70.2 | mg/L | 25 | EST |
| Vapor Pressure | 0.280 | mm Hg | 25 | EST |
| Henry's Law Constant | 2.62E-04 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.21E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.