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2-Methyl-1-butene

HCID 11240
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
26760-64-5
표준 SMILES
C=C(C)CC
InChIKey
MHNNAWXXUZQSNM-UHFFFAOYSA-N
분자식
C5H10
평균 분자량
70.13 g/mol
단동위원소 질량
70.07825032

개요

Isopentenes appears as a colorless liquid with a pleasant odor. A mixture of isomers. Insoluble in water and less dense than water. Hence floats on water. Vapors are heavier than air. Used as a solvent and to make other chemicals.

이름 및 식별자

우선 이름
2-Methyl-1-butene
IUPAC
2-methylbut-1-ene
영어명
2-Methyl-1-butene
분자식
C5H10
분자량
0

이름 및 동의어

2-METHYL-1-BUTENE2-Methylbut-1-ene1-Butene, 2-methyl-2-methyl-1-butylenegammaIsoamylene1IsoamyleneUNII-33C9Y0I55HHSDB 569533C9Y0I55HEINECS 209-250-7NSC 72414NSC-72414
이름 더 보기
UN24591-BUTENE,2-METHYLUN 2371UN 2459DTXSID3052224CHEBI:779152-METHYLBUT-1-ENE [HSDB]2Methylbut1ene

데이터베이스 식별자

CAS
26760-64-5、563-46-2
PubChem CID
11240
DTXSID
DTXSID3052224
ChEBI
CHEBI:77915
UNII
33C9Y0I55H
EC Number
209-250-7、247-975-0
Nikkaji
J6.506D

물성

구조 계산 물성

XLogP
2.5
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
5
형식 전하
0
복잡도
35.3

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Aliphatics, Unsaturated

Flammable agents - 4th degree

CosmeticsSolvent
SpringerMaterials PropertiesSchoenflies notation
OdorDisagreeable odor
Density · 2건

0.6504 @ 20 °C/4 °C

0.06504 @ 20°C

Color/FormColorless liquid
Solubility · 2건

Sol in alcohol, ether, benzene

In water, 130 mg/l @ 20 °C.

Flash Point · 3건

less than 20 °F (NFPA, 2010)

Flash point < -7 °C

BELOW -20 °F (BELOW -7 °C) (CLOSED CUP)

Boiling Point · 2건

31.2 °C

31.04 °C @760 [mm Hg]

DecompositionWhen heated to decomposition it emits acrid smoke and irritating fumes.
Melting Point · 2건

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H224 (79%): Extremely flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P330, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 138 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H224 (61.2%): Extremely flammable liquid and vapor [Danger Flammable liquids]

유해성 정보

Regulatory Information · 6건

Chemical: 1-Butene, 2-methyl-

Butene, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butene, 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)

1-Butene, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butene, 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)

REACH registered substance: 2-methylbutene (EC: 247-975-0)

1-Butene, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

The 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.)

DOT Label · 2건

Flammable Liquid

Flammable Liquid

Fire Hazards · 4건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

화학 및 산업

약리 정보

Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)

용도 및 제조

Uses · 6건

Used for organic synthesis, in pesticide formulations, and as a solvent; [HSDB]

Farming (Pesticides) [Category: Industry]

Organic synthesis, pesticide formulations

CHEM INT FOR PETROLEUM RESINS (AS MIXED PENTENES)

HYDROCARBON SOLVENT

CHEM INT, EG, FOR ISOPRENE

U.S. Production · 4건

2023: 9,197,829 lb

2023: 500,000 - <1,000,000 lb

(1977) AT LEAST 4.54X10+9 GRAMS

(1981) 7.43X10+10 G (TOTAL, MIXED PENTENES)

Consumer UsesIntermediate
Industry Uses · 2건

Intermediate

Intermediate

Methods of Manufacturing · 2건

Refinery gas

CATALYTIC CRACKING OR STEAM CRACKING OF PETROLEUM FOLLOWED BY ISOLATION OF C5 FRACTION AND EXTRACTION WITH COLD AQUEOUS SULFURIC ACID

Formulations/PreparationsGrades: 95%, 99%, and research
Use ClassificationCosmetics -> Solvent
General Manufacturing Information · 4건

All Other Basic Organic Chemical Manufacturing

Plastics Material and Resin Manufacturing

1-Butene, 2-methyl-: ACTIVE

Butene, 2-methyl-: ACTIVE

관련 반응

24건
반응 기록 만들기
HRID 302923 반응식
HRID 302923반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 349188 반응식
HRID 349188반응물로uspto-grants-2007_02
HRID 381766 반응식
HRID 381766반응물로uspto-grants-2001_10
HRID 456912 반응식
HRID 456912반응물로uspto-grants-2007_03
HRID 511116 반응식
HRID 511116반응물로uspto-grants-2015_08
HRID 822301 반응식
HRID 822301반응물로Test data from https://doi.org/10.1039/C8SC04228D
HRID 856007 반응식
HRID 856007반응물로uspto-grants-2007_08
HRID 856008 반응식
HRID 856008반응물로uspto-grants-2007_08
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화합물 노트

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-137.5 °C

-137.5 °C

Vapor Pressure · 3건

610.0 [mmHg]

610 mm Hg @ 25 °C

610 [mm Hg] @20 °C

물리화학적 성질

녹는점
-137.5 °C · -137.5 °C
끓는 점
31.2 °C · 31.2 °C
밀도
0.6504 g/cm3 · 0.6504 g/cm3

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Fire Potential · 2건

HIGHLY FLAMMABLE, DANGEROUS FIRE ... RISK

Very dangerous fire hazard when exposed to heat, flame, or oxidizers.

Health Hazards · 4건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

Hazards SummaryA fire and explosion hazard; [Hawley] May cause irritation or burns to skin and eyes; [CAMEO] An irritant; [MSDSonline]
DOT ID and Guide · 2건

2371 128

2459 128

Reactive Group · 2건

Hydrocarbons, Aliphatic Unsaturated

Hydrocarbons, Aliphatic Unsaturated

Reactivity Alerts · 2건

Highly Flammable

Highly Flammable

Reactivity Profile · 2건

ISOPENTENES may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions. May undergo slow autoxidation upon exposure to the air to form peroxides. These peroxide and polyperoxide substances are unstable and liable to detonation.

The unsaturated aliphatic hydrocarbons, such as 2-METHYL-1-BUTENE, are generally much more reactive than the alkanes. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen. In the presence of various catalysts (such as acids) or initiators, compounds in this class can undergo very exothermic addition polymerization reactions.

DOT Emergency Guidelines · 5건

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substances may be transported hot.

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.

For more DOT Emergency Guidelines (Complete) data for 2-METHYL-1-BUTENE (8 total), please visit the HSDB record page.

DOT Hazard Classification · 6건

Isopentenes

UN2371

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG I: the degree of danger presented by the material is great

2-Methyl-1-butene

UN2459

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Accidental Release Measures · 4건

· 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.

· 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.

First Aid · 4건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

General First Aid:

General First Aid:

Exposure Control and Personal Protection · 2건

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

Fire Fighting ProceduresTo fight fire, use alcohol foam, mist, spray, dry chemical, carbon dioxide.
Nonfire Spill Response · 2건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Disposal Methods · 1건

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.

Isolation and Evacuation · 4건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Immediate precautionary measure

Immediate precautionary measure

Protective Action Criteria (PAC) · 3건

120 [mg/m3]

1300 [mg/m3]

7900 [mg/m3]

Personal Protective Equipment (PPE) · 2건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Emergency Response Planning Guidelines · 2건

CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

독성 정보

TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
Health EffectsPetroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 68(SRC), determined from a structure estimation method(2), indicates that 2-methyl-1-butene should have high mobility in soil(SRC). Volatilization of 2-methyl-1-butene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.43 atm-cu m/mole(SRC) calculated from its water solubility(4) and vapor pressure(3). The potential for volatilization of 2-methyl-1-butene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 610 mm Hg(3). While biodegradation data in soil were not located, 2-methyl-1-butene's relatively low molecular weight, hydrocarbon structure suggests that biodegradation is expected to be an important fate process(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 68(SRC), determined from an estimation method(2), indicates that 2-methyl-1-butene is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 0.43 atm-cu m/mole(SRC) calculated from its water solubility(5) and vapor pressure(4). Using this Henry's Law constant and an estimation method(3), 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(6), a BCF of 25(SRC) estimated from its estimated log Kow of 2.72(8) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. While biodegradation data in water were not located, 2-methyl-1-butene's relatively low molecular weight, hydrocarbon structure suggests that biodegradation is expected to be an important fate process(9).

ATMOSPHERIC FATE: 2-Methyl-1-butene which has a vapor pressure of 610 mm Hg at 25 °C(2), is a volatile organic compound and should exist solely as a vapor in the atmosphere(1). It is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone molecules(SRC); the half-life for the reaction with hydroxyl radicals in air is estimated to be 6.3 hours(SRC), calculated from its rate constant of 6.07X10-11 cu cm/molecule-sec at 25 °C(3). The reaction of 2-methyl-1-butene with ozone is estimated to be much slower than that with hydroxyl radicals and therefore would not markedly alter 2-methyl-1-butene's atmospheric half-life.

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesOral (L400) ; inhalation (L400) ; dermal (L400)
Toxicity SummaryPetroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)
Signs and Symptoms · 1건

Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Petroleum distillates are also irritating to the skin. (A594)

Effluent Concentrations · 2건

Exhaust from turbojet engines operated at simulated high-altitude flight conditions contained 0.10-5.35 ppmC (ppm carbon) of 2-methyl-1-butene(1). Exhaust from a two-stroke moped contained 0.16 and 0.35 % weight of 2-methyl-1-butene, using an alkalate-based fuel(2). 2-Methyl-1-butene was emitted in the exhaust of 10 four-stroke lawnmower engines at 0.28 and 0.29 % of the total organic emissions, for two different gasolines(3). 2-Methyl-1-butene was emitted in the exhaust of a single-cylinder, production-type engine run on gasoline at 8 ppmC(4).

2-Methyl-1-butene accounted for 0.12 % of the total United Kingdom volatile organic compound emissions (by mass distribution) in 1990(1). Emissions of 2-methyl-1-butene from motor vehicles, measured inside the Van Nuys Tunnel, Los Angeles, CA in 1993 were determined to average 35 mg/L fuel consumed (2). 2-Methyl-1-butene was measured in the exhaust of 67 vehicles representative of the Sydney, Australia fleet at an average concentration of 0.3 %wt/wt non-methane hydrocarbons (3). 2-Methyl-1-butene was detected in the Tingstad Tunnel, Goteborg, Sweden at 0.17 to 0.33 % of the total non-methane volatile hydrocarbons over 5 different sampling days during 1991 and 1992 (4). Light-duty vehicle emissions measured at the Caldecott Tunnel, San Francisco, CA during August and October, 1994, contained 2-methyl-1-butene at 0.23 and 0.34 weight % of total volatile organic compounds; August fuel is low oxygenate concentration, October fuel is high oxygenate concentration(5).

Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-methyl-1-butene can be estimated to be 68(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-methyl-1-butene is expected to have high mobility in soil.

Atmospheric Concentrations · 3건

SOURCE DOMINATED: Trace amounts of 2-methyl-1-butene were detected in brush fire smoke Cajon Pass, CA. 2-Methyl-1-butene was also detected in samples from an industrial area of Los Angeles County, CA, a Riverside, CA shopping center parking lot, and a nearby busy intersection with three filling stations. The compound was not detected in smog taken from the University of California Riverside campus(1). Air samples taken downwind from a natural gas facility at Piceance Creek in Rio Blanco County, CO, contained 2-methyl-1-butene at 10.7 ppbC(2). Monitoring data was collected from 6 self-service stations in the US (Cincinnati, OH, Phenoix, AZ, Los Angeles, CA) to assess consumer exposure to airborne gasoline components(3). 2-Methyl-1-butene was detected (detection of quantitation = 3 ug/sample) at a range of 0.02-5.2 mg/cu m(3).

URBAN/SUBURBAN: Weekday air samples were taken from 6 to 9 am in 39 US cities during a 1984 through 1986 time period(1). In 822 samples, 2-methyl-1-butene was detected at a median concn of 2.6 ppbC, with a maximum value of 242 ppbC(1). Ambient air from Tulsa, OK contained 2-methyl-1-butene at a range of 0.6-6.4 ppbC(2). During a severe Los Angeles area photochemical smog episode in September 1993, 2-methyl-1-butene was measured in the vapor phase at an average concentration of 1.13 ug/cu m (range not detected to 3.40 ug/cu m)(3). Air samples collected from the industrial area of Houston, TX, contained 2-methyl-1-butene at concentrations of not detected to 53.8, 8.7 to 47.6 and not detected to 3.7 ppbC on separate days in September 1973, January 1974, and April, 1974, respectively (detection limit not reported) (4). Air samples collected by aircraft over Miami in May 1976 contained 2-methyl-1-butene at concentrations of 0.5 and 0.6 ppbC(5). Air samples collected from downtown Los Angeles during morning rush hour, fall 1968, contained 2-methyl-1-butene at 15 ppbC(6). The average concentration of 2-methyl-1-butene in downtown Porto Alegre, Brazil over the period March 1996 to April 1997 is 4.4 mg/cu m (n=46)(7). Concentrations of 2-methyl-1-butene inside and outside the town of Boone, NC (university town, little industry) from September 1981 to October 1982 ranged from 1.5 to 3.7 and 0.3 to 0.5 ppbC, respectively(8). The average concentration of 2-methyl-1-butene is 0.5 ppbv (0.5 weight %; n=140) in the morning air of Sydney, 30 day monitoring period at 3 different sampling sites (1 downwind of central business district, 2 sites downwind of a refinery-petrochemical complex)(9). 2-Methyl-1-butene was present at 2.0 ppb in ambient air samples collected at the Riverside CA County Building of Health and Finance between August 1965 and March 1966 in the early morning(10). The mean concentration of 2-methyl-1-butene measured between 6 and 9 am during the summers of 1984 to 1986 in 39 US cities located between 26 deg N and 43 deg N latitude was 2.6 ppbC(11).

RURAL/REMOTE: 2-Methyl-1-butene was detected in the ambient air of Sevier County, TN in the Great Smokey Mountains National Park, ranging from not detected to 1.1 ppbC(1). Air samples collected in the remote Piceance Creek Basin, Colorado contained 2-methyl-1-butene at concentrations from 0.4 to 1.2 ppbC(1). The concentration of 2-methyl-1-butene in air samples collected above a mixed deciduous forest in southern Ontario, Canada in 1993 was 0.002 and 0.003 ppbv in day and nighttime samples, respectively(2). 2-Methyl-1-butene was measured at 0.3 and 0.4 ppbC in ground level air samples collected in an orange grove during May near Dunedin, FL(3). An average 2-methyl-1-butene concentration of 0.2 mg/cu m was measured 30 km southeast of Porto Alegre, Brazil (upwind of the city during sample collection) in November 1996(4). Concentrations of 2-methyl-1-butene at 5 remote locations in the southern Appalachian Mountains of northwestern North Carolina from September 1981 to October 1982 ranged from not detected to 0.4 ppbC(5). 2-Methyl-1-butene was measured in air samples at concentrations from 0.2 to 3.2 ppbC collected from a picnic area at Jones State Forest between January 4 to 6, 1978(6).

Artificial Pollution Sources · 1건

2-Methyl-1-butene's production and use in organic synthesis and pesticide formulations(1) result in its release to the environment through various waste streams(SRC). 2-Methyl-1-butene has been identified in emissions from automobiles, turbines, gasoline, and forest fires(2).

Environmental Biodegradation · 1건

A concn of 500 mg/l of 2-methyl-1-butene was biodegraded by activated sludge using a Warburg respirometer at a rate of 50 mg/l of O2 uptake over 20 hrs after an initial lag of 10 hrs(1). This corresponds to a 10% theoretical BOD and suggests that biodegradation may be an important fate process(SRC). While biodegradation data in soil and water were not located, 2-methyl-1-butene's relatively low molecular weight, hydrocarbon structure suggests that biodegradation in both environments is expected to be an important fate process(2).

규제 정보

DHS Chemicals of Interest (COI) · 4건

2-Methyl-1-butene

1

10000

Flammable chemical that can be released at a facility.

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H224