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Substance Name: 3-Hydroxy-3-methylbutene
RN: 115-18-4
UNII: SH64HE46L9
InChIKey: HNVRRHSXBLFLIG-UHFFFAOYSA-N
Note
- Narcotic, sleep-producing principle from hops.
Molecular Formula
- C5-H10-O
Molecular Weight
- 86.133
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 3-Hydroxy-3-methylbutene
Synonyms
- 1,1-Dimethyl-2-propanol
- 1,1-Dimethyl-2-propenol
- 1,1-Dimethylallyl alchol
- 1,1-Dimethylallyl alcohol
- 2-Methyl-2-hydroxy-3-butene
- 2-Methyl-3-buten-2-ol
- 2-Methyl-3-buten-2-yl alcohol
- 3-Buten-2-ol, 2-methyl-
- 3-Hydroxy-3-methylbutene
- 3-Methyl-1-buten-3-ol
- 3-Methyl-buten-(1)-ol-(3)
- 3-Methyl-buten-(1)-ol-(3) [German]
- 4-01-00-02132 (Beilstein Handbook Reference)
- AI3-23122
- alpha,alpha-Dimethylallyl alcohol
- BRN 1698263
- Dimethylvinylcarbinol
- Dimethylvinylmethanol
- EC 204-068-4
- EINECS 204-068-4
- Methylbutenol
- NSC 15977
- UNII-SH64HE46L9
- Vinyldimethylcarbinol
Systematic Names
- 1-Buten-3-ol, 3-methyl-
- 2-Methylbut-3-en-2-ol
- 3-Buten-2-ol, 2-methyl-
- 3-Butyn-2-ol, 2-methyl- (8CI,9CI)
Superlist Names
- 2-Methyl-3-buten-2-ol
- 3-Buten-2-ol, 2-methyl-
Registry Numbers
CAS Registry Number
- 115-18-4
FDA UNII
- SH64HE46L9
System Generated Number
- 0000115184
Structure Descriptors
InChI
InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3InChIKey
HNVRRHSXBLFLIG-UHFFFAOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | unreported | 435mg/kg (435mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
mouse | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 14, Pg. 449, 1976. | |
mouse | LD50 | subcutaneous | 1680mg/kg (1680mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955. | |
rat | LD50 | intraperitoneal | 1315mg/kg (1315mg/kg) | Planta Medica. Vol. 48, Pg. 120, 1983. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -2.80E+01 | deg C | EXP | |
Boiling Point | 97 | deg C | EXP | |
log P (octanol-water) | 1.080 | (none) | EST | |
Water Solubility | 1.00E+06 | mg/L | EXP | |
Henry's Law Constant | 2.08E-05 | atm-m3/mole | 25 | EXP |
Atmospheric OH Rate Constant | 6.48E-11 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.