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HCID 6557作成日:2026年10月27日

Isoprene

https://huagongshe.com/ja/chemical/6557

Isoprene の分子構造式

識別子と物理属性

CAS No.308075-06-1
分子式C5H8
平均分子量68.12 g/mol
単同位体質量68.06260026 g/mol
SMILESC=CC(=C)C
InChIKeyRRHGJUQNOFWUDK-UHFFFAOYSA-N
PubChem CID6557
ChEMBLCHEMBL1566132
ChEBICHEBI:35194
EC No.201-143-3
DTXSIDDTXSID2020761

化学・物理的性質

XLogP2.5
極性表面積0
水素結合供与体数0
水素結合受容体数0
回転可能結合数1
重原子数5
形式電荷0
複雑度51.1
物質分類Carcinogens
PolymersPlastics & Rubber -> Other Monomers
化粧品Cosmetics ingredient -> Fragrance
pHNatural rubber latex has a pH of 6.5-7.0 when it emerges from the tree.
SpringerMaterials PropertiesCoriolis coupling
LogP(分配係数)log Kow = 2.422.30
臭いPetroleum-lkeOdorless
味Tasteless
密度0.681 at 68 °F (USCG, 1999) - Less dense than waterwill float0.679 g/cu cm at 20 °C0.906-0.916 g/cu cm @ 20 °CRelative density (water = 1): 0.70.679 @ 20°C0.681 g/cm3
ViscosityThe viscosity of natural rubber can be stabilized with the addition of small amounts of hydroxylamine hydrochloride or semicarbazide hydrochloride.0.3 mm²/s at 20-25 °C
Color/FormColorless volatile liquidColorless, watery liquidNearly colorless and transparent in thin layers.Amorphous when unstretched, but has oriented crystalline structure on stretching /Cured (unvulcanized)/
溶解度less than 1 mg/mL at 70.7 °F (NTP, 1992)In water, 642 mg/L at 25 °CPractically insoluble in waterMiscible with ethanol, ethyl ether, acetone, benzeneSoluble in alcohol, ether, hydrocarbon solventsNatural rubber is soluble in most aliphatic, aromatic, and chlorinated solvents, but its high molecular weight makes it difficult to dissolve.
融点-145.95 °C
沸点34.067 °C

安全性と法規制

GHS 分類DangerH224: Extremely flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2428) of reports.H224 (> 99.9%): Extremely flammable liquid and vapor [Danger Flammable liquids]
規制情報Chemical: 1,3-Butadiene, 2-methyl-Chemical: Natural rubberHazard Traits - CarcinogenicityCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1,3-Butadiene, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Butadiene, 2-methyl- 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: 06-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16096
その他の安全情報IMAP assessments - Natural rubber: Environment tier I assessmentIMAP assessments - 1,3-Butadiene, 2-methyl-: Environment tier I assessment
輸送ラベル(DOT)Flammable Liquid
火災危険Special Hazards of Combustion Products: Toxic vapors are generated when heated· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Extremely flammable. Vapour/air mixtures are explosive.
火災の可能性Extremely flammable.A fire hazard when exposed to heat or flame.
健康有害性Vapor produces no effects other than slight irritation of the eyes and upper respiratory tract. Liquid may irritate eyeslike gasoline. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin.
有害性の概要An irritant to the skin, eyes, and mucous membranesCauses CNS depression at high concentrations[HSDB] If left on clothes, may cause reddening of skin[CHRIS] Can affect the CNS, resulting in respiratory depression
[ICSC] Human volunteers complain of slight upper respiratory tract irritation when exposed to 57 ppm
[AIHA] Isoprene, stabilized (UN1218) has warning of explosive polymerization
[ERG 2016]
輸送番号・ガイド(DOT)1218 130P
反応性グループHydrocarbons, Aliphatic Unsaturated
EC 分類Symbol: F+, TR: 45-12-68-52/53S: 53-45-61Note: D
UN 分類UN Hazard Class: 3UN Pack Group: I
Special ReportsDHHS/National Toxicology ProgramReport on Carcinogens, Fourteenth Edition: Tetrachloroethylene (November 2016). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. Isoprene (78-79-5) is listed as reasonably anticipated to be a human carcinogen.[Available from, as of March 20, 2018: http://ntp.niehs.nih.gov/pubhealth/roc/index-1.html]USDOEInhalation Developmental Toxicology Studies: Teratology Study of Isoprene in Mice and Rats: Final (1989) NTIS/DE89008095, PNL-6829, Contract AC06-76RL01830
消火Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)polymerization hazard]:Use powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
応急処置措置Fresh air, rest. Refer for medical attention.Rinse skin with plenty of water or shower. Remove contaminated clothes. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. Refer for medical attention .
漏出応急措置· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
応急処置EYES: 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:
安全保管Fireproof. Separated from combustible substances, reducing agents, strong oxidants, strong bases, strong acids, alcohols and acid chlorides. Cool. Keep in the dark. Well closed. Store only if stabilized. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.
Firefighting HazardsThe vapor is heavier than air and may travel along the grounddistant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated. Vapours are uninhibited and may polymerize in vents or flame arresters, causing blockage.If it becomes contaminated or is subjected to heat, isoprene may polymerize. If the polymerization takes place in a container, the container is subject to violent rupture.Flashback along vapor trail may occur.Containers may explode in fire. Vapor may explode if ignited in an enclosed area.
暴露管理・個人防護· Wear positive pressure self-contained breathing apparatus (SCBA).3.0 [ppm]
消火手順Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.Use water spray to cool unopened containers.Use fine spray or fog to control fire by preventing its spread and absorbing some of its heat. Use water spray to keep fire-exposed containers cool. Fight fire from protected location or maximum possible distance.For more Fire Fighting Procedures (Complete) data for Isoprene (6 total), please visit the HSDB record page.
保管条件Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature 2 - 8 °C.Store in a cool, dry well-ventilated location. Outside or detached storage is preferred. Separate from oxidizing materials.... Before entering confined space where hexanol may be present, check to make sure that an explosive concentration does not exist. Isoprene must be stored to avoid contact with strong acids (such as chlorosulfonic, sulfuric, and nitric) since violent reactions occur. Store in tightly closed containers in a cool, well-ventillated area away from heat, flame and oxidizers. Sources of ignition, such as smoking and open flames, are prohibited where isoprene is handled, used or stored. Metal containers involving the transfer of 5 gallons or more of isoprene should be grounded and bonded. Drums must be eqipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only non-sparking tools and equipment especially when opening and closing containers of isoprene. Whenever isoprene is used, handled, manufactured, or stored, use explosion-proof electrical equipment and fittings.PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/
清掃方法ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Wear respiratory protection. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria for disposal.Eliminate all ignition sources. Stop or control the leak, if this can be done without undue risk. Use appropriate foam to blanket release and suppress vapors. Absorb in noncombustible material for proper disposal.Environmental considerations: Land spill. Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. Apply universal gelling agent to immobilize spill.For more Cleanup Methods (Complete) data for Isoprene (7 total), please visit the HSDB record page.
非火災時の漏出対応Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)polymerization hazard]:
処分方法SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in air, soil or watereffects on animal, aquatic and plant lifeand conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.Product: Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this materialContaminated packaging: Dispose of as unused product.Isoprene is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.Evaporation & incineration: This material may be evaporated in hood or can be incinerated.For more Disposal Methods (Complete) data for Isoprene (9 total), please visit the HSDB record page.SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
体内負荷Isoprene was found to be the main endogenous hydrocarbon of human breath(1-4), accounting for up to 70% of exhaled hydrocarbons(2). Isoprene concentrations in exhaled breath, measured in thirty volunteers (19 males, 11 females), ranged from 0 to 474 ppb with an average of 118 ppb(3). Isoprene was detected in expired breath during exercise with concentrations ranging from 5 to 400 ppbconcentrations decreased with time during exercise and older subjects had higher levels of isoprene compared to the younger subjects(4). Isoprene has been measured in human blood at concentrations between 15 and 70 nmol/liter (mean value of 37 +/- 25 (SD) nmol/L)(5).In a pilot study of pollutants in the milk of women living in 4 urban industrial areas in the USA, isoprene was detected in 1 of 8 samples(1). In a pilot study of volatile organic compounds in the exhaled breath of volunteers from Bayonne and Elizabeth, NJ and Research Triangle Park, NC, isoprene was detected in 1 of 12 samples(2). Isoprene has been detected in the expired air from 7 of 8 volunteers (including 2 smokers) during a test period of approximately 1 hr at quantities ranging from 15-390.0 ug(3). In a pilot study of volatile organic compounds in the exhaled breath of 54 nonsmoking volunteers, isoprene has been detected in 18 of 387 samples at concentrations ranging from 0.5-0.9 ng/L(4). Isoprene has been detected at concentrations ranging from approximately 18-60 ng/L in expired air in samples taken from 28 volunteers(5). Isoprene was identified, not quantified, in the expired breath of passengers on diesel buses in Sweden(6).
相互作用Healthy young adult subjects (n = 10) underwent chamber exposure /to isoprene/ on separate days to filtered air and to a variable concentration of ozone. Exposures had durations of 130 min that included alternate periods of rest and light treadmill exercisebreath was sampled pre- and postexposure. For six subjects, breath was resampled 19 +/- 1 hr postexposure. Breath samples were concentrated cryogenically and analyzed by capillary gas chromatography. Isoprene output immediately postexposure was significantly reduced by ozone or filtered air (17 and 19%, respectively). These results suggest that exercise alone reduces isoprene levels in breath without an additive ozone effect. However, in the six subjects restudied 19 +/- 1 hr postexposure to ozone, breath isoprene concentrations were now increased above the preexposure output by 99% (P < 0.01) and exceeded the 51% increase in output of isoprene at this time point after filtered-air exposure (P < 0.01)...
生態毒性値LC50Species: Carassius auratus (Goldfish) length 3.8-6.4 cm, weight 1-2 gConditions: freshwater, static, 25 °C, pH 7.5, hardness 20 mg/L CaCO3, alkalinity 18 mg/L CaCO3, dissolved oxygen 7.8 mg/LConcentration: 180000 ug/L for 24 hr (95% confidence interval: 150410-215410 ug/L) /formulated product/Concentration: 180000 ug/L for 48 hr (95% confidence interval: 150410-215410 ug/L) /formulated product/Concentration: 180000 ug/L for 96 hr (95% confidence interval: 150410-215410 ug/L) /formulated product/Species: Lepomis macrochirus (Bluegill) length 3.8-6.4 cm, weight 1-2 gConcentration: 42540 ug/L for 24 hr (95% confidence interval: 32500-50150 ug/L) /formulated product/For more Ecotoxicity Values (Complete) data for Isoprene (34 total), please visit the HSDB record page.
環境中動態TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a log Kow of 2.42(2) and a regression-derived equation(3), indicates that isoprene is expected to have high mobility in soil(SRC). Volatilization of isoprene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.7X10-2 atm-cu m/mole(SRC) derived from its vapor pressure, 550 mm Hg(4), and water solubility, 642 mg/L(5). Isoprene is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). A 60% of theoretical BOD using an adapted domestic sewage sludge in the Closed Bottle test and 53-75% of theoretical BOD in 4 weeks using an activated sludge inoculum in the Manometric Respirometry Test(6), suggests that biodegradation is an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a log Kow of 2.42(2) and a regression-derived equation(3), indicates that isoprene is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon an estimated Henry's Law constant of 7.7X10-2 atm-cu m/mole(SRC) derived from its vapor pressure, 550 mm Hg(5), and water solubility, 642 mg/L(6). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 2.4 hours and 3.3 days, respectively(SRC). According to a classification scheme(7), a BCF range of <5.6-20 measured in carp(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 60% of theoretical BOD using an adapted domestic sewage sludge in the Closed Bottle test and 53-75% of theoretical BOD in 4 weeks using an activated sludge inoculum in the Manometric Respirometry Test(9), suggests that biodegradation is an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isoprene, which has a vapor pressure of 550 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isoprene 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 3.8 hours(SRC), calculated from its rate constant of 1.01X10-10 cu cm/molecule-sec at 25 °C(3). Isoprene will also be degraded in the atmosphere by reaction with ozone and nitrate radical, the reaction half-lives for these reactions are 19 and 1.2 hours, calculated from reaction rates of 1.43X10-17 cu cm/molecule-sec(4) and 2.4X10+8 nitrate radicals per cu cm(5), respectively. Isoprene absorbs light with a UV maximum of approximately 237 nm(6) and, therefore, is not expected to be susceptible to direct photolysis by sunlight since sunlight consists of wavelengths greater than 290 nm(SRC).
食品調査値Isoprene was detected at a concentration of 3,000 ug/kg of cooked hamburger meat(1). Isoprene was not detected in the emissions from cooking food in a restaurant, tortilleria, rotisserie, fried food or using liquid propane gas in Mexico City, in a study done March 20-31, 1998(2).
有害作用Neurotoxin - Acute solvent syndrome
暴露経路The substance can be absorbed into the body by inhalation and by ingestion.
Milk ConcentrationsIn a pilot study of pollutants in the milk of women living in 4 urban industrial areas in the USA, isoprene was detected in 1 of 8 samples(1).
毒性の概要IDENTIFICATION AND USE: Isoprene is a colorless volatile liquid. It is used in manufacturing butyl rubber, and as copolymer in the production of synthetic elastomers. HUMAN STUDIES: Respiratory irritation is a potential symptom of overexposure. Isoprene may act as a CNS depressant and asphyxiant at high concentrations. Catarrhal inflammation, subtrophic and atrophic processes in the upper respiratory tract, and deterioration of olfaction were noted in isoprene rubber production workers. Prevalence and degree were correlated with increasing length of service. In the comet assay isoprene induced DNA damage in peripheral blood mononuclear cells in the presence of metabolic activation. ANIMAL STUDIES: Exposure of rats of each sex to 0, 438, 875, 1750, 3500 or 7000 ppm isoprene vapors by inhalation for 6 hr a day on 5 days/wk for 2 wk had no effect. In male mice it reduced body weight gain, produced atrophy of the thymus and testis (at 7000 ppm only), olfactory epithelial degeneration, vacuolized liver cytoplasm and forestomach epithelial hyperplasia. In both male and female mice in all exposure groups, there were reductions in erythrocyte numbers, hemoglobin concentration and volume of packed erythrocytes. An exposure-related increased incidence of liver, lung, Harderian gland and forestomach tumors and hemangiosarcomas and histiocytic sarcomas was reported in mice. In rats, exposed males and females had increased incidences of mammary fibroadenomas. The incidence of renal tubule adenomas was increased in treated males. Some animals also had a renal carcinoma. Treated males also had increased incidence of interstitial-cell adenomas of the testis. Isoprene affected ovarian follicles in 21 day old female mice. In male mice, there was reduction of testicular weight by 35% in the animals exposed to 7000 ppm, seminiferous tubular atrophy in 20% of animals studied, reduced epididymal weights, lower spermatid headcounts and concentrations, and reduced sperm motility in the 700 and 7000 ppm groups. In developmental studies, there was no treatment-related effect on the incidence of fetal malformations or variations other than a slight increase in the incidence of reduced vertebral ossification. Isoprene was negative when tested for mutagenicity in the Salmonella/microsome preincubation assay using 5 S. typhimurium strains (TA1535, TA1537, TA97, TA98, & TA100) with and without metabolic activation. Isoprene did not induce either sister chromatid exchanges or chromosomal aberrations in cultures of Chinese hamster ovary cells.
Average Daily IntakeIsoprene intake in individuals with a home and work smoking atmosphere, home smoking and work non-smoking atmosphere, non-smoking home and smoking work atmosphere, and non-smoking home and work atmosphere are (home/work) 9.01/4.92, 9.41/1.15, 2.89/6.96, and 2.39/1.49 ug day/cu m, respectively(1).
Plant ConcentrationsIsoprene was identified, not quantified in the leaves of oak trees(1,2). Isoprene was detected in Norway spruce from Asa, Sweden in samples taken May and June 1997(3). Isoprene was detected in the volatile emissions from sunflower plants at a mean emission rate of 30 ng/g (dry weight) per hour(4). Isoprene was detected in the emissions of various plants from California at rates of 5-45 ug/g-hour(5). Isoprene was detected in the volatile emissions of aspen, cottonwood, oak, ponderosa pine, Engelmann spruce and Douglas fir, and three species of eucalyptus (E. citriodora, E. dunni, E. saligna)(6,7).The emission rate of isoprene from various species of white spruce (Picea. sp) selected from 12 various geographical origins and grown in an arboretum in Rhinelander, WI was 0.01-14 ug/g-hour(1).[Table#1732]Isoprene was detected in the emissions of several tree species measured during the summer of 1993 in the Fernbank Forest in Atalanta, GA(1).[Table#1733]Isoprene was detected in the emissions of several plant species measured during the summer of 1993 in Willow Springs, WI(1).[Table#1734]For more Plant Concentrations (Complete) data for Isoprene (6 total), please visit the HSDB record page.
Signs and SymptomsCough. Sore throat. Dizziness. Nausea.Redness.Abdominal pain. Burning sensation. Further see Inhalation.
大気基準This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isoprene is produced, as an intermediate or a final product, by process units covered under this subpart.
CERCLA 報告数量Persons 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 100 lb or 45.5 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).
清浄水法要件Isoprene is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.
DHS Chemicals of Interest (COI)Isoprene110000Flammable chemical that can be released at a facility.
注意喚起語危険
危険有害性情報コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H224