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HCID 7859생성일: 2026년 10월 27일

Propargyl alcohol

https://huagongshe.com/ko/chemical/7859

Propargyl alcohol 분자 구조식

식별자 및 물리적 특성

CAS No.107-19-7
분자식C3H4O
평균 분자량56.06 g/mol
단동위원소 질량56.02621475 g/mol
SMILESC#CCO
InChIKeyTVDSBUOJIPERQY-UHFFFAOYSA-N
PubChem CID7859
ChEMBLCHEMBL1563026
ChEBICHEBI:28905
EC No.203-471-2
DTXSIDDTXSID5021883

화학 및 물리적 성질

XLogP-0.4
극성 표면적20.2
수소 결합 공여자 수1
수소 결합 수용자 수1
회전 가능 결합 수0
무거운 원자 수4
형식 전하0
복잡도38.5
물질 분류Other Classes -> Other Toxic Gases & VaporsFlammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
농약Pesticide -> EPA IRIS
LogP(분배 계수)log Kow = -0.38
냄새Mild, geranium odor
밀도0.9485 at 68 °F (USCG, 1999) - Less dense than waterwill float0.9715 at 20 °C/4 °CRelative density (water = 1): 0.970.9478 @ 20°C0.9715 g/cm3
Viscosity1.68 centipoise at 20 °C
Color/FormColorless liquidColorless to straw-colored liquid
용해도Miscible (NIOSH, 2024)Miscible with benzene, chloroform, ethanol, 1,2-dichloroethane, ether, acetone, dioxane, tetrahydrofuran, pyridinemoderately sol in carbon tetrachlorideIMMISCIBLE WITH ALIPHATIC HYDROCARBONSMiscible with waterSolubility in water: miscible
인화점91 °F (NTP, 1992)97 °F97 °F (36 °C) (Open cup)33 °C c.c.97 °F (open cup)(oc) 97 °F
끓는 점236.5 °F at 760 mmHg (NTP, 1992)114-115 °C at 760 mm Hg100 °C at 490.3 mm Hg70 °C at 147.6 mm Hg20 °C at 11.6 mm Hg114 °C113.6 °C @760 [mm Hg]237 °F20 °C(Press: 11.6 Torr)
녹는점-54 °F (NTP, 1992)-48 to -52 °C-48 - -52 °C-62 °F-51.8 °C-52--48 °C
pKa(산도 계수)13.21±0.10(Predicted)

안전 및 규제

GHS 분류DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
규제 정보Chemical: 2-Propyn-1-ol2-Propyn-1-ol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propyn-1-ol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 22-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/158512-Propyn-1-ol: HSNO Approval: HSR003069 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
운송 라벨(DOT)Flammable Liquid Poison
화재 위험Special Hazards of Combustion Products: Acrid smoke, fumes (USCG, 1999)Flammable. Above 33 °C explosive vapour/air mixtures may be formed.
화재 가능성... Moderate fire risk.Flammable liquid.
건강 유해성Severe health hazard. Central nervous system depressant. May be fatal is absorbed through skin or inhaled. Causes severe irritation. High concentrations are extremely destructive to mucous membranes, upper respiratory tract, eyes and skin. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)
유해성 요약Liquid causes second degree burns after contact for a few minutes. [CHRIS] Toxic to liver and kidneys in rats after repeated exposure to concentrations of 80 ppm
TLV Basis: Eye irritation and liver & kidney damage
A TLV–TWA of 1 ppm (2.3 mg/m3) is recommended for occupational exposure to propargyl alcohol, based on the structural and apparent toxicological similarity to allyl alcohol . . . [ACGIH] A lachrymator
[CHEMINFO] See Allyl alcohol.
운송 번호 및 가이드(DOT)1986 131
반응성 그룹Alcohols and Polyols
EC 분류Symbol: T, NR: 10-23/24/25-34-51/53S: (1/2)-26-28-36-45-61
UN 분류UN Hazard Class: 6.1UN Subsidiary Risks: 3UN Pack Group: II
Special ReportsEPA/Office of Pollution Prevention and ToxicsHigh Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans for Propargyl alcohol (December 2002). Provides information on usage patterns, toxicity, and environmental effects supplied by industry to the U.S. EPA's HPV CHallenge Program. Available from: http://cfpub.epa.gov/hpv-s/ as of September 07, 2006.
RCRA 요건P102As stipulated in 40 CFR 261.33, when propargyl alcohol, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to federal and/or state hazardous waste regulations. Also defined as a hazardous waste is any container or inner liner used to hold this waste or any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5(e)).
소화Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
응급 조치Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention . Wear protective gloves when administering first aid.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Rest. Refer for medical attention .
응급 처치EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.(General first aid procedures)
안전 보관Fireproof. Separated from strong oxidants and food and feedstuffs. Keep in the dark. Well closed.
Firefighting HazardsA harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.Vapors are heavier than air and may travel to a source of ignition and flash back.The odour warning when the exposure limit value is exceeded is insufficient. Vapours are uninhibited and may polymerize, blocking valves and vents.
노출 관리 및 개인 보호2.0 [ppm]
소화 절차Use water spray, dry chemical, "alcohol resistant" foam, or carbon dioxide. Use water spray to keep fire-exposed containers cool. Fight fire from protected location or maximum possible distance.If material or fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.
보관 조건Fireproof. Separated from strong oxidants, food and feedstuffs. Keep in the dark. Well closed.Store in a cool, dry, well-ventilated location. Store away from heat, oxidizing materials, acids, alkalies, and sunlight.
정리 방법Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent and remove to safe place.Eliminate all ignition sources. Stop or control the leak if this can be done without undue risk. Use water spray to cool and disperse vapors, protect personnel, and dilute spills to form nonflammable mixtures. Absorb in noncombustible material for proper disposal.
비화재 누출 대응Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
처리 방법[40 CFR 240-280, 300-306, 702-799 (7/1/2006)] Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number P102, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.A good candidate for liquid injection incineration at a temperature range of 650 to 1,600 °C and a residence time of 0.1 to 2 seconds. A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 °C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 °C and residence times of seconds for liquids and gases, and longer for solids.
누출 처리Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
표적 장기HepaticSkin, respiratory system, central nervous system, liver, kidneys
생태독성 수치LC50 Pimephales promelas (fathead minnow) 1.44 mg/l/96 hr (confidence limit 1.25-1.67 mg/l), flow-through bioassay with measured concentrations, 24.7 °C, dissolved oxygen 6.9 mg/l, hardness 42.8 mg/l calcium carbonate, alkalinity 40.6 mg/l calcium carbonate, and pH 7.7.EC50 Pimephales promelas (fathead minnow) 1.44 mg/l/96 hr (confidence limit 1.25-1.67 mg/l), flow-through bioassay with measured concentrations, 24.7 °C, dissolved oxygen 6.9 mg/l, hardness 42.8 mg/l calcium carbonate, alkalinity 40.6 mg/l calcium carbonate, and pH 7.7. Effect: loss of equilibrium.LC50 Pimephales promelas (fathead minnow) 1.53 mg/l/96 hr (confidence limit 1.49-1.56 mg/l), flow-through bioassay with measured concentrations, 25.7 °C, dissolved oxygen 6.8 mg/l, hardness 43.4 mg/l calcium carbonate, alkalinity 40.8 mg/l calcium carbonate, and pH 7.72.EC50 Pimephales promelas (fathead minnow) 1.53 mg/l/96 hr (confidence limit 1.49-1.56 mg/l), flow-through bioassay with measured concentrations, 25.7 °C, dissolved oxygen 6.8 mg/l, hardness 43.4 mg/l calcium carbonate, alkalinity 40.8 mg/l calcium carbonate, and pH 7.72. Effect: loss of equilibrium.For more Ecotoxicity Values (Complete) data for PROPARGYL ALCOHOL (13 total), please visit the HSDB record page.
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 14(SRC), determined from a log Kow of -0.38(2) and a regression-derived equation(3), indicates that propargyl alcohol is expected to have very high mobility in soil(SRC). Volatilization of propargyl alcohol from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.1X10-6 atm-cu m/mole(SRC), derived from its extrapolated vapor pressure, 15.6 mm Hg(4), and water solubility, 1X10+6 mg/L (miscible)(5). Volatilization from dry soils is expected(SRC), given the extrapolated vapor pressure(4). The half-life of propargyl alcohol in an alkaline sandy silt loam (61.5% sand, 31.1% silt, 7.4% clay, pH 7.8, 3.25% organic carbon) from Texas was 12.6 days and 13 days from an acidic sandy loam (68% sand, 23.4% silt, 8.6% clay, pH 4.8, 0.94% organic carbon) from Mississippi(6).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 14(SRC), determined from a log Kow of -0.38(2) and a regression-derived equation(3), indicates that propargyl alcohol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.1X10-6 atm-cu m/mole(SRC), derived from its extrapolated vapor pressure, 15.6 mm Hg(4), and water solubility, 1X10+6 mg/L (miscible) (5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 16 and 176 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation in aerobic water may occur for propargyl alcohol based on biodegradation half-lives of 12.6 and 13 days in two soils(8). In addition, propargyl alcohol achieved 95% of its theoretical BOD in a screening study using an activated sludge inoculum(9), suggesting this compound will degrade under aerobic condictions.ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), propargyl alcohol, which has an extrapolated vapor pressure of 15.6 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase propargyl alcohol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 37 hours(SRC), calculated from its rate constant of 1X10-11 cu cm/molecule-sec at 25 °C (SRC) that was derived using a structure estimation method(3). Propargyl alcohol is also degraded in the atmosphere by reaction with ozonehowever, the half-life of this reaction is long compared to the reaction with hydroxyl radicals and is not environmentally relevant(SRC). The half-life for this reaction in air is estimated as 380 days from its theoretical rate constant of 3X10-20 cu cm/molecule-sec(SRC), that was derived using a structure estimation method(3). Propargyl alcohol does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to/may be susceptible to direct photolysis by sunlight(4).
유해 작용Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
노출 경로The substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion.inhalation, skin absorption, ingestion, skin and/or eye contact
Signs and SymptomsCough. Sore throat.MAY BE ABSORBED! Redness.Pain. Severe deep burns.irritation skin, mucous membranecentral nervous system depressionIn Animals: liver, kidney damage
Ongoing Test StatusThe following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=107-19-7]
ICSC Environmental DataThe substance is toxic to aquatic organisms.
EPA IRIS InformationPropargyl alcoholHepatic2 x 10 ^-3 mg/kg-day
Soil Adsorption/MobilityThe Koc of propargyl alcohol is estimated as 14(SRC), using a log Kow of -0.38(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propargyl alcohol is expected to have very high mobility in soil(SRC).
Human Toxicity Excerpts/SIGNS AND SYMPTOMS/ Irritating to skin, mucous membranes./SIGNS AND SYMPTOMS/ ACUTE ... SYMPTOMS: Inhalation--cough, sore throatSkin--MAY BE ABSORBED! RednessEyes--pain, severe deep burns./SIGNS AND SYMPTOMS/ EFFECTS OF SHORT-TERM EXPOSURE: ... /Propargyl alcohol/ is irritating to the eyes, the skin and the respiratory tract. The vapor irritates the eyes, the skin and the respiratory tract. The substance may cause effects on the liver and kidneys, resulting in impaired functions. Exposure above the occupational exposure limit (OEL) may result in death.
Artificial Pollution SourcesPropargyl alcohol's production and use as a corrosion inhibitor, solvent stabilizer, and laboratory reagent(1) may result in its release to the environment through various waste streams(SRC). Its former use as a soil fumigant(1) would have resulted in its direct release to the environment(SRC).
TSCA 요건Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 2-Propyn-1-ol is included on this list.
CERCLA 보고 수량Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1000 lb or 454 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).
운송 번호(UN)2929
포장분류II
위험 등급6.1