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Substance Name: Allyl alcohol
RN: 107-18-6
UNII: 3W678R12M0
InChIKey: XXROGKLTLUQVRX-UHFFFAOYSA-N
Molecular Formula
- C3-H6-O
Molecular Weight
- 58.0794
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Agricultural Chemical
- Fungicide, Bactericide, Wood Preservative
- Herbicide
- Insecticide
- Mutation Data
- Out-Dated Pesticide
- Skin / Eye Irritant
- Tumor Data
Superlist Classification Codes
- Reportable Quantity (RQ) = 100 lb
- Threshold Planning Quantity (TPQ) = 1000 lb
- TWA (0.5 ppm); skin; Not classifiable as a human carcinogen
- TWA 2 ppm (5 mg/m3); skin
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Names and Synonyms
Name of Substance
- Allyl alcohol
Synonyms
- 1-Propen-3-ol
- 2-Propen-1-ol
- 2-Propenol
- 2-Propenyl alcohol
- 3-Hydroxypropene
- AI3-14312
- Alcool allilco
- Alcool allilco [Italian]
- Alcool allylique
- Alcool allylique [French]
- Allilowy alkohol
- Allilowy alkohol [Polish]
- Allyl alcohol
- Allylalkohol
- Allylalkohol [German]
- Allylic alcohol
- Caswell No. 026
- CCRIS 747
- EC 203-470-7
- EINECS 203-470-7
- EPA Pesticide Chemical Code 068401
- HSDB 192
- NSC 6526
- Propen-1-ol-3
- Propenyl alcohol
- RCRA waste number P005
- Shell unkrautted A
- UNII-3W678R12M0
- Vinyl carbinol
- Vinylcarbinol
- Weed drench
Systematic Names
- 2-Propen-1-ol
- Allyl alcohol
Superlist Names
- 2-Propen-1-ol
- Allyl alcohol
- Allyl alcohol [UN1098] [Poison]
- RCRA waste no. P005
- UN1098
Registry Numbers
CAS Registry Number
- 107-18-6
FDA UNII
- 3W678R12M0
System Generated Number
- 0000107186
Structure Descriptors
InChI
InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2InChIKey
XXROGKLTLUQVRX-UHFFFAOYSA-NSmiles
OCC=CToxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | unreported | 4270ug/kg (4.27mg/kg) | BLOOD: OTHER CHANGES GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: COMA | Journal of Pharmacology and Experimental Therapeutics. Vol. 25, Pg. 144, 1925. |
| frog | LDLo | parenteral | 51mg/kg (51mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: EXCITEMENT | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935. |
| mammal (species unspecified) | LC50 | inhalation | 1gm/m3 (1000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
| mammal (species unspecified) | LD50 | oral | 70mg/kg (70mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
| mammal (species unspecified) | LD50 | unreported | 66mg/kg (66mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
| monkey | LCLo | inhalation | 1000ppm/4H (1000ppm) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BLOOD: HEMORRHAGE | JAMA, Journal of the American Medical Association. Vol. 98, Pg. 2269, 1932. |
| mouse | LC50 | inhalation | 500mg/m3/2H (500mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 17, 1982. | |
| mouse | LD50 | intraperitoneal | 60mg/kg (60mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: EXCITEMENT | AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958. |
| mouse | LD50 | intravenous | 78mg/kg (78mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. | |
| mouse | LD50 | oral | 96mg/kg (96mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958. |
| rabbit | LCLo | inhalation | 1000ppm/3.5H (1000ppm) | SENSE ORGANS AND SPECIAL SENSES: IRITIS: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BLOOD: HEMORRHAGE | JAMA, Journal of the American Medical Association. Vol. 98, Pg. 2269, 1932. |
| rabbit | LD50 | oral | 52mg/kg (52mg/kg) | National Technical Information Service. Vol. OTS0571508, | |
| rabbit | LD50 | skin | 45mg/kg (45mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. | |
| rabbit | LDLo | subcutaneous | 100mg/kg (100mg/kg) | "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institu der Universitat Breslau, Poland, 1930Vol. -, Pg. -, 1930. | |
| rat | LC50 | inhalation | 76ppm/8H (76ppm) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958. |
| rat | LD50 | intraperitoneal | 37mg/kg (37mg/kg) | Toxicology and Applied Pharmacology. Vol. 83, Pg. 108, 1986. | |
| rat | LD50 | oral | 64mg/kg (64mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.29E+02 | deg C | EXP | |
| Boiling Point | 97 | deg C | EXP | |
| pKa Dissociation Constant | 15.5 | (none) | 25 | EXP |
| log P (octanol-water) | 0.17 | (none) | EXP | |
| Water Solubility | 1.00E+06 | mg/L | 20 | EXP |
| Vapor Pressure | 26.1 | mm Hg | 25 | EXP |
| Henry's Law Constant | 4.99E-06 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 2.59E-11 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.