도데센(1-)

1-도데센 · 도데센(1-) · 도데센 · Dodec-1-ene · Dodecene-1 · Adacene 12 · Linealene 12 · NSC 12016

식별자 및 물리적 특성

CAS No.	112-41-4
분자식	C12H24
평균 분자량	168.32 g/mol
단동위원소 질량	168.18780077 g/mol
SMILES	C=CCCCCCCCCCC
InChIKey	CRSBERNSMYQZNG-UHFFFAOYSA-N
PubChem CID	8183
ChEMBL	CHEMBL1872885
ChEBI	CHEBI:89713
EC No.	203-968-4
DTXSID	DTXSID5026914
현지명	도데센(1-)

화학 및 물리적 성질

XLogP	6.8
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	9
무거운 원자 수	12
형식 전하	0
복잡도	84
물질 분류	Other Classes -> Aliphatics, Unsaturated
지질	Fatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	6.1
냄새	MILD, PLEASANT부드럽고 편안한 냄새
밀도	0.758 at 68 °F (USCG, 1999) - Less dense than waterwill float0.7584 g/cu cm @ 20 °C0.7584 @ 20 °C/4 °CRelative density (water = 1): 0.80.758 g/mL at 20 °C (lit.)
Viscosity	1.72 sq mm/s @ 20 °C
Color/Form	Colorless liquid
용해도	Insoluble in watersol in ethanol, ethyl ether, and acetoneSolubility in water: none에탄올, 에틸에테르, 아세톤에 용해됩니다.
인화점	212 °F (USCG, 1999)49 °CBelow 212 °F (below 100 °C) (Closed cup)77 °C c.c.172 °F
끓는 점	415 °F at 760 mmHg (USCG, 1999)213.8 °C214 °C214-216 °C (lit.)
녹는점	-31 °F (USCG, 1999)-35.2 °C-35 °C-35 °C (lit.)
증기 밀도	5.8 (vs air)
증기압	0.2 mm Hg ( 20 °C)
굴절률	n20/D 1.429(lit.)
저장 조건	Store below +30°C.
물리적 상태	liquid
비중	0.758
색상	무색
폭발한계	0.6-5.4%(V)
용해도	120μg/L at 25℃
비열	Cp(liquid): 2.14 J/(g·K), at 25℃
BRN	1699848
헨리 상수	5.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
유전율	2.1899999999999999
안정성	안정적인. 타기 쉬운. 염기, 강산화제, 환원제와 호환되지 않습니다.
화장품 원료 기능	향기용제점도 조절
InChI	1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
InChIKey	CRSBERNSMYQZNG-UHFFFAOYSA-N
SMILES	CCCCCCCCCCC=C
LogP(분배 계수)	6.1 at 20℃
EPA	1-Dodecene (112-41-4)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 1% (13 of 1254) of reports.DangerH304 (98.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P264, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1254 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 22.6% (37 of 164) of reports.
규제 정보	Chemical: 1-DodeceneChemical: DodeceneCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Dodecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecene 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: 17-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15280Status: No longer Valid Update: 16-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2033
운송 라벨(DOT)	Flammable Liquid
화재 위험	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:Combustible. Above 77 °C explosive vapour/air mixtures may be formed.
화재 가능성	LOW, WHEN EXPOSED TO HEAT OR FLAME. /DODECENE/MODERATE, WHEN EXPOSED TO HEAT OR FLAMECAN REACT WITH OXIDIZING MATERIALS.
건강 유해성	No inhalation hazard expected. Aspiration hazard if ingested. Minor skin and eye irritation. (USCG, 1999)
유해성 요약	A skin and eye irritantHigh concentrations may cause CNS depression[HSDB] If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. The liquid defats the skin. [ICSC] Oral LDLo (mouse) = 10,000 mg/kg[RTECS] An irritant[MSDSonline]High concentrations cause irritation and narcotic effects[Hawley]
반응성 그룹	Hydrocarbons, Aliphatic Unsaturated
Reactivity Profile	1-DODECENE 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.
대기 기준	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. Dodecene is produced, as an intermediate or a final product, by process units covered under this subpart. /Dodecene/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. Dodecene is produced, as an intermediate or a final product, by process units covered under this subpart.
Chemical Dangers	Reacts with strong oxidants, halogens and inorganic acids. Attacks rubber, paints and lining materials.
DOT Hazard Classification	Dodecene (except 1-dodecene)Marine pollutant
Air and Water Reactions	Insoluble in water.
소화	Fire Extinguishing Agents: Foam, dry chemical, carbon dioxide (USCG, 1999)Use foam, dry powder, carbon dioxide.
응급 조치	Fresh air, rest.Rinse and then wash skin with water and soap.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.
응급 처치	INHALATION: remove victim to fresh air.
안전 보관	Separated from strong oxidants, halogens and inorganic acids.
소화 절차	FOAM, CARBON DIOXIDE, DRY CHEMICAL. /DODECENE/FOAM, CARBON DIOXIDE, DRY CHEMICAL ...
보관 조건	IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED ... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.
비화재 누출 대응	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
처리 방법	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.
누출 처리	Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in covered containers as far as possible.
Preventive Measures	SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Isolation and Evacuation	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Eye Prevention	Wear safety spectacles.
환경 거동	TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5900(SRC), determined from a structure estimation method(2), indicates that 1-dodecene is expected to be immobile in soil. Volatilization of 1-dodecene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.25 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 1-Dodecene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0159 mm Hg(4). However, adsorption to soil is expected to attenuate volatilization. Pure culture studies indicate that 1-dodecene has the potential to biodegrade under aerobic conditions in soil(5-7), but the rate of biodegradation in soil is unknown(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5900(SRC), determined from an estimation method(2), indicates that 1-dodecene is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 4.25 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.3 hr and 120 hr, respectively, but these rates are expected to be attenuated by adsorption(SRC). The half-life for volatilization from a model pond, which takes into account adsorptive processes, is 17 months(8,SRC). According to a classification scheme(5), an estimated BCF of 310(SRC), from an estimated log Kow of 6.10(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high. Pure culture studies indicate that 1-dodecene has the potential to biodegrade under aerobic conditions in water(9-11), but the rate of biodegradation is unknown.ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-dodecene, which has a vapor pressure of 0.0159 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-dodecene 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 9.961 hr(SRC), calculated from its rate constant of 39X10-12 cu cm/molecule-sec at 25 °C(3) determined using a structure estimation method(3).
식품 조사 수치	1-Dodecene was emitted from agricultural species such as onions, oranges, tomatoes in the California Central Valley in unquantifed amounts(1).
유해 작용	Neurotoxin - Acute solvent syndrome
Plant Concentrations	1-Dodecene was emitted from natural plant species chamise, whitethorn, and valley oak in the California Central Valley in unquantifed amounts(1).
Signs and Symptoms	Dry skin.
Effluent Concentrations	1-Dodecene was reported as a compound present in the exhaust of gasoline engine powered vehicles concns not provided(1). 1-Dodecene was qualitatively identified as a semi-volatile emission during the combustion of agricultural plastics(2).
ICSC Environmental Data	Bioaccumulation of this chemical may occur in aquatic organisms.
Soil Adsorption/Mobility	Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-dodecene can be estimated to be 5900(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-dodecene is expected to be immobile in soil(SRC).
Natural Pollution Sources	1-Dodecene was emitted in unknown amounts from natural plant species chamise, whitethorn, and valley oak in the California Central Valley(1).
Atmospheric Concentrations	URBAN/SUBURBAN: 1-Dodecene was qualitatively detected in air samples collected in central Paris, France, autumn of 1972(1). It was qualitatively detected in the air of Leningrad, 1976, and 5 other Russian cities(2,3). INDOOR AIR: 1-Dodecene was qualitatively identified as a volatile organic compound released from textile floor coverings(4).
Human Toxicity Excerpts	... IRRITANT AND /CNS DEPRESSANT/ ... IN HIGH CONCENTRATIONS.
Artificial Pollution Sources	1-Dodecene's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams. It is also released from exhaust of gasoline powered vehicles(2) and during the combustion of plastics(3).
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	JR5120000
운송 번호(UN)	UN3082
독성	LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
관세 코드	29012990
위험 문구(R)	43-66-65
위험 표시	Xi,F,Xn
안전 문구(S)	36/37-45-23-62-37-36
위험 등급	9Asp. Tox. 1
기존화학 물질	KE-12898
자연 발화 온도	491 °F
저장 분류	10 - Combustible liquids
유해 물질 데이터	112-41-4(Hazardous Substances Data)

용도

1-Dodecene, is used in Oil and Gas field drilling and production operations, in polymer production, as an intermediate, coating, cleaning agent, lubricants and also used as a functional fluid. It is also used in the production of detergents.

일반 설명

A clear colorless liquid with a mild, pleasnat odor. Insoluble in water and floats on water. Harmful or fatal by ingestion. Inhalation of vapors may irritate and damage lungs. High concentrations may have a narcotic effect.