基本情報
- 標準SMILES
C=CCCCCCCCCCC- InChIKey
CRSBERNSMYQZNG-UHFFFAOYSA-N- 分子式
- C12H24
- 平均分子量
- 168.32 g/mol
- 単同位体質量
- 168.18780077
概要
1-dodecene appears as 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.
名称と識別子
- 優先名称
- 1-Dodecene
- IUPAC
- dodec-1-ene
- 現地名
- 1-ドデセン
- 英語名
- 1-Dodecene
- 分子式
- C12H24
- 分子量
- 168.32
名称と別名
名称をさらに表示
データベース識別子
- CAS
112-41-4、1124-14-7、25378-22-7、68526-58-9- PubChem CID
- 8183
- DTXSID
DTXSID5026914- ChEMBL
CHEMBL1872885- ChEBI
CHEBI:89713- UNII
- WYE669F3GR
- EC Number
- 203-968-4、246-922-9
- Nikkaji
- J43.534A
物性
構造計算による物性
- XLogP
- 6.8
- 極性表面積
- 0 Ų
- 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
- 9
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 84
実験および物理化学的性質
Chemical Classes
Other Classes -> Aliphatics, Unsaturated
Other Classes -> Aliphatics, Unsaturated
Density
0.758 at 68 °F (USCG, 1999) - Less dense than water; will float
0.7584 g/cu cm @ 20 °C
0.7584 @ 20 °C/4 °C
Relative density (water = 1): 0.8
Color/Form
Colorless liquid
COLORLESS LIQUID
Solubility
Insoluble in water; sol in ethanol, ethyl ether, and acetone
Solubility in water: none
Flash Point
212 °F (USCG, 1999)
49 °C
Below 212 °F (below 100 °C) (Closed cup)
77 °C c.c.
Boiling Point
415 °F at 760 mmHg (USCG, 1999)
213.8 °C
214 °C
Melting Point
-31 °F (USCG, 1999)
-35.2 °C
-35 °C
物理化学的性質
- 融点
- -35 °C · -35 °C (lit.)
- 沸点
- 214 · 214-216 °C (lit.)
- 比重(密度)
- 0.758 g/mL · 0.758 g/mL at 20 °C (lit.)
- 蒸気密度
- 5.8 · 5.8 (vs air)
- 蒸気圧
- 0.2 mm · 0.2 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.429(lit.)
- 闪点
- 172 °F · 172 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- エタノール、エチルエーテル、アセトンに可溶
- 外見
- liquid
- 比重
- 0.758 · 0.758
- 色
- 無色
- 臭い (Odor)
- マイルドで心地よい。
- 爆発限界(explosive limit)
- 0.6 · 0.6-5.4%(V)
- 水溶解度
- 120 μg/L · 120μg/L at 25℃
- 比熱容量
- 2.14 J/ · Cp(liquid): 2.14 J/(g·K), at 25℃
- BRN
- 1699848 · 1699848
- Henry's Law Constant
- 5.1 · 5.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2.19 · 2.1899999999999999
- 安定性
- 安定。可燃性。塩基、強力な酸化剤、還元剤と相容れない。
- 化粧品成分の機能
- 香料溶媒粘度制御
- 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
- 6.1 at · 6.1 at 20℃
- CAS データベース
- 112 · 112-41-4(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Dodecene (112-41-4)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1% (13 of 1254) of reports.
Danger
H304 (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.
危険有害性情報
Regulatory Information
Chemical: 1-Dodecene
Chemical: Dodecene
Commission 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/15280
Status: No longer Valid Update: 16-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2033
Fire Hazards
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Combustible. Above 77 °C explosive vapour/air mixtures may be formed.
Fire Potential
LOW, WHEN EXPOSED TO HEAT OR FLAME. /DODECENE/
MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS.
Hazards Summary
A skin and eye irritant; High 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]
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.
Atmospheric Standards
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.
DOT Hazard Classification
Dodecene (except 1-dodecene)
Marine pollutant
安全と保護具
Fire Fighting
Fire Extinguishing Agents: Foam, dry chemical, carbon dioxide (USCG, 1999)
Use foam, dry powder, carbon dioxide.
First Aid Measures
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.
Fire Fighting Procedures
FOAM, CARBON DIOXIDE, DRY CHEMICAL. /DODECENE/
FOAM, CARBON DIOXIDE, DRY CHEMICAL ...
Storage Conditions
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.
Disposal Methods
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.
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.
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.
毒性情報
Environmental Fate
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).
Adverse Effects
Neurotoxin - Acute solvent syndrome
Neurotoxin - Acute solvent syndrome
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).
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).
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).
法規制情報
Atmospheric Standards
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.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- JR5120000
- ridadr
- UN3082
- 毒性
- LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
- hs_code
- 29012990
- risk_code
- 43-66-65
- 化審法
- (2)-27
- 消防法
- 危-4-3-III
- hazard_code
- Xi,F,Xn
- safety_code
- 36/37-45-23-62-37-36
- hazard_class
- 9
- 自然発火温度
- 491 °F
- Hazard Classifications
- Asp. Tox. 1
- ストレージクラス
- 10 - Combustible liquids
- 有毒物質データの
- 112-41-4(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
Uses
Used as a chemical intermediate for n-dodecyl dimethyl amine; [HSDB] Used as a synthetic fatty acid intermediate; as feedstock for alkylbenzene; as an intermediate for amines, amine oxides, and mercaptans; [eChemPortal: SIDSUNEP]
Used in flavors, perfumes, medicine, oils, dyes, and resins; [Hawley]
CHEM INT FOR N-DODECYL DIMETHYL AMINE
Chemical intermediate for n-dodecyl dimethyl amine ...
U.S. Exports
(1974) 3.4X10+10 G (ALL C6-C20 ALPHA-OLEFINS)
(1975) 2.27X10+10 G (EST-LINEAR ALPHA-OLEFINS)
U.S. Production
2023: 550,000,000 - <700,000,000 lb
(1972) 1.6X10+11 G (ALL C6-C20 ALPHA-OLEFINS)
(1975) 1.30X10+11 GRAMS
(1984) 1.76X10+11 g /Dodecene/
(1988) 152,795X10+6 g /Dodecene/
(1993) 155,523X10+6 g /Dodecene/
Methods of Manufacturing
OLIGOMERIZATION OF ETHYLENE USING TRIETHYLALUMINUM CATALYST AND FRACTIONAL DISTILLATION OF THE RESULTING ALPHA-OLEFIN MIXTURE
Ethylene (Zeigler oligomerization; coproduced with 1-butene/ 1-hexene/ 1-octene/ alpha-olefins (C12-C14)/ alpha-olefins (C14-C16)/ alpha-olefins (C16-C18/ alpha-olefins (C18+))
The One-Step Ziegler Process involves the oligomerization of ethylene in the presence of triethylaluminum at 180-220 °C and 140 atm.
The Two-Step Ziegler Process involves the oligomerization of ethylene in the presence of aluminum alkyls at 175-200 °C and 136-204 atm. Chain growth continues with the reaction of light olefins with the aluminum alkyls continuously fed in stoichiometric amounts.
High purity ethylene contacts a nickel catalyst in a butanediol reaction medium. The alpha-olefins produced separate from the solvent because they are insoluble in the polar medium.
General Manufacturing Information
Computer and Electronic Product Manufacturing
1-Dodecene: ACTIVE
Dodecene: ACTIVE
応用分野
解説1-ドデセン,無色の液体.融点-35.23 ℃,沸点213.36 ℃.d425"0.75474.nD25"1.42782.ソフト型の合成洗剤の原料に用いられる.森北出版「化学辞典(第2版)
用途樹脂原料,エポキサイドアミン?オキソアルコール?合成脂肪酸原料,メルカプタン原料
使用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.
一般的な説明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.
上流・下流製品情報
下流製品
補足説明
定義本品は、次の化学式で表される不飽和炭化水素である。
関連反応
関連ノート
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