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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
 

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

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

1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

InChIKey

XXROGKLTLUQVRX-UHFFFAOYSA-N

Smiles

C(CO)=C

Toxicity

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.