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Substance Name: Isoamyl isovalerate
RN: 659-70-1
UNII: 16M1VA1FJY
InChIKey: XINCECQTMHSORG-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C10-H20-O2
Molecular Weight
- 172.266
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Isoamyl isovalerate
Synonyms
- 3-Methylbutyl 3-methylbutanoate
- 3-Methylbutyl 3-methylbutyrate
- 3-Methylbutyl isovalerate
- 4-02-00-00899 (Beilstein Handbook Reference)
- AI3-06045
- Apple essence
- Apple oil
- BRN 1753884
- Butanoic acid, 3-methyl-, 3-methylbutyl ester
- CCRIS 1348
- EINECS 211-536-1
- FEMA No. 2085
- iso-Amyl isovalerate
- Isoamyl 3-methylbutanoate
- Isoamyl 3-methylbutyrate
- Isoamyl isopentanoate
- Isoamyl isovalerate
- Isoamyl isovalerate (natural)
- Isoamyl isovalerianate
- Isoamyl valerianate
- Isopentyl 3-methylbutanoate
- Isopentyl 3-methylbutyrate
- Isopentyl alcohol, isovalerate
- Isopentyl isopentanoate
- Isopentyl isovalerate
- Isovaleric acid, isopentyl ester
- NSC 6565
- Solusterol
- UNII-16M1VA1FJY
Systematic Names
- 3-Methylbutyl isovalerate
- Butanoic acid, 3-methyl-, 3-methylbutyl ester
- Isoamyl isovalerate
- Isovaleric acid, isopentyl ester
Superlist Name
- Isoamyl isovalerate
Registry Numbers
CAS Registry Number
- 659-70-1
FDA UNII
- 16M1VA1FJY
System Generated Number
- 0000659701
Structure Descriptors
InChI
InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3InChIKey
XINCECQTMHSORG-UHFFFAOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | oral | 13956mg/kg (13956mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Boiling Point | 190.4 | deg C | EXP | |
log P (octanol-water) | 3.660 | (none) | EST | |
Water Solubility | 44.6 | mg/L | 25 | EST |
Vapor Pressure | 0.886 | mm Hg | 25 | EXP |
Henry's Law Constant | 1.27E-03 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 9.05E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.