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1-ドデセン

1-Dodecene

HCID 8183
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
112-41-4
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

1-DODECENEDodec-1-ene112-41-4Adacene 12Dodecene-1n-Dodec-1-enealpha-Dodecylenealpha-DodeceneNSC 12016DTXSID5026914HSDB 1076UNII-WYE669F3GR
名称をさらに表示
1-ドデセンアダセン12α-ドデシレン1ドデセン1-ドデセン [GC用標準物質]ドデカ-1-エンドデカ‐1‐エン1‐ドデセンLinealene 12adacene12lauryleneα-Dodecylene
EINECS 203-968-4WYE669F3GRNeodene 12NSC-12016DODECENE, 1-DTXCID306914CHEBI:89713EC 203-968-4

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補完中

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 · 2 件

Other Classes -> Aliphatics, Unsaturated

Other Classes -> Aliphatics, Unsaturated

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
LogP6.1
OdorMILD, PLEASANT
Density · 4 件

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

Viscosity1.72 sq mm/s @ 20 °C
Color/Form · 2 件

Colorless liquid

COLORLESS LIQUID

Solubility · 2 件

Insoluble in water; sol in ethanol, ethyl ether, and acetone

Solubility in water: none

Flash Point · 4 件

212 °F (USCG, 1999)

49 °C

Below 212 °F (below 100 °C) (Closed cup)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

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 · 6 件

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

DOT LabelFlammable Liquid
Fire Hazards · 2 件

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

Combustible. Above 77 °C explosive vapour/air mixtures may be formed.

Fire Potential · 2 件

LOW, WHEN EXPOSED TO HEAT OR FLAME. /DODECENE/

MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS.

Health HazardsNo inhalation hazard expected. Aspiration hazard if ingested. Minor skin and eye irritation. (USCG, 1999)

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Uses · 4 件

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 ...

ImpuritiesAlpha-olefins of C4, C6-C15 and >C20 are by-products of oligomerization reactions.
U.S. Exports · 2 件

(1974) 3.4X10+10 G (ALL C6-C20 ALPHA-OLEFINS)

(1975) 2.27X10+10 G (EST-LINEAR ALPHA-OLEFINS)

U.S. Production · 6 件

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/

Consumer UsesIntermediate
Industry UsesProcessing aids not otherwise specified
Methods of Manufacturing · 5 件

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.

関連反応

60 件
反応記録を作成
HRID 16408 の反応式
HRID 16408溶媒としてuspto-grants-2010_06
HRID 104158 の反応式
HRID 104158反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 132089 の反応式
HRID 132089反応物としてuspto-grants-2008_06
HRID 132090 の反応式
HRID 132090反応物としてuspto-grants-2008_06
HRID 187628 の反応式
HRID 187628反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 224537 の反応式
HRID 224537反応物としてuspto-grants-1980_11
HRID 229717 の反応式
HRID 229717反応物としてuspto-grants-2009_07
HRID 248665 の反応式
HRID 248665生成物としてuspto-grants-1993_05
1 / 8 ページ

化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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ノートを作成反応を作成見積依頼を出す

77 °C c.c.

Boiling Point · 3 件

415 °F at 760 mmHg (USCG, 1999)

213.8 °C

214 °C

Melting Point · 3 件

-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

Hazards Summary · 2 件

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]

Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity Profile · 1 件

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 · 2 件

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 DangersReacts with strong oxidants, halogens and inorganic acids. Attacks rubber, paints and lining materials.
DOT Hazard Classification · 2 件

Dodecene (except 1-dodecene)

Marine pollutant

Air and Water ReactionsInsoluble in water.

安全と保護具

Fire Fighting · 2 件

Fire Extinguishing Agents: Foam, dry chemical, carbon dioxide (USCG, 1999)

Use foam, dry powder, carbon dioxide.

First Aid Measures · 4 件

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.

First AidINHALATION: remove victim to fresh air.
Safe StorageSeparated from strong oxidants, halogens and inorganic acids.
Fire Fighting Procedures · 2 件

FOAM, CARBON DIOXIDE, DRY CHEMICAL. /DODECENE/

FOAM, CARBON DIOXIDE, DRY CHEMICAL ...

Storage Conditions · 1 件

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.

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Disposal Methods · 2 件

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.

Spillage DisposalDo NOT let this chemical enter the environment. Collect leaking and spilled liquid in covered containers as far as possible.
Preventive Measures · 1 件

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 EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Eye PreventionWear safety spectacles.

毒性情報

Environmental Fate · 3 件

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).

Food Survey Values1-Dodecene was emitted from agricultural species such as onions, oranges, tomatoes in the California Central Valley in unquantifed amounts(1).
Adverse Effects · 2 件

Neurotoxin - Acute solvent syndrome

Neurotoxin - Acute solvent syndrome

Plant Concentrations1-Dodecene was emitted from natural plant species chamise, whitethorn, and valley oak in the California Central Valley in unquantifed amounts(1).
Signs and SymptomsDry skin.
Effluent Concentrations1-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 DataBioaccumulation of this chemical may occur in aquatic organisms.
Soil Adsorption/Mobility · 1 件

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 Sources1-Dodecene was emitted in unknown amounts from natural plant species chamise, whitethorn, and valley oak in the California Central Valley(1).
Atmospheric Concentrations · 1 件

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 件

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 · 2 件

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)

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.

Household ProductsInformation on 2 consumer products that contain Dodecene in the following categories is provided:
General Manufacturing Information · 3 件

Computer and Electronic Product Manufacturing

1-Dodecene: ACTIVE

Dodecene: ACTIVE

応用分野 · 4 件

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

3-ドデシル[オキシビスベンゼン]-4',6-ジスルホン酸ジナトリウムカルシウム=ビス(ドデシルベンゼンスルホナト)1-ペンタデカノール2-Tridecen-1-ol, (2Z)-エチレングリコールモノドデシルエーテルドデシルトリクロロシラン1-ヨードドデカン6-フェニルドデカンドデシルホスホン酸クロロ(ドデシル)ジメチルシラン4-ドデシルベンゼンアミンN-メチルクロロアセトアミド

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。