1-テトラデセン

1-Tetradecene

HCID 14260CAS 1120-36-1

基本情報

標準SMILES
C=CCCCCCCCCCCCC
InChIKey
HFDVRLIODXPAHB-UHFFFAOYSA-N
分子式
C14H28
平均分子量
196.37 g/mol
単同位体質量
196.2191009

概要

Watery liquid; colorless; mild pleasant odor. Floats on water. (USCG, 1999)

名称と識別子

優先名称
1-Tetradecene
IUPAC
tetradec-1-ene
現地名
1-テトラデセン
英語名
1-Tetradecene
分子式
C14H28
分子量
196.37

名称と別名

1-TETRADECENE1120-36-1Tetradec-1-enen-Tetradec-1-ene1-Tetradecylenealpha-Tetradecene1-butadeceneNeodene 14CCRIS 3785DTXSID4027367HSDB 1087AI3-10509
名称をさらに表示
1-テトラデセンα-テトラデシレンテトラデセン1テトラデセン1-テトラデセン [GC用標準物質]テトラデカ-1-エン1‐テトラデセン1-テトラデセン標準品1-テトラデセン, 94%Tetradecene-1Dialen 14NeoSolv 4Linealene 141-fourteen ene
EINECS 214-306-9NSC 66434UNII-FW23481S7SFW23481S7SNSC-66434DTXCID907367CHEBI:77505EC 214-306-9

データベース識別子

CAS
1120-36-1、25608-58-6、68855-59-4、68855-60-7
PubChem CID
14260
DTXSID
DTXSID4027367
ChEMBL
CHEMBL1892257
ChEBI
CHEBI:77505
UNII
FW23481S7S
EC Number
214-306-9、607-757-1
Nikkaji
J44.092B

物性

構造計算による物性

XLogP
7.9
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
11
重原子数
14

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
CosmeticsEmollient
SpringerMaterials PropertiesBoiling point
LogP7.08
OdorMild, pleasant

物理化学的性質

融点
-13 · -13--11 °C (lit.)
沸点
251 °C · 251 °C (lit.)
比重(密度)
0.775 g/mL · 0.775 g/mL at 25 °C (lit.)
蒸気密度
6.8 · 6.8 (vs air)
蒸気圧
1.65 Pa · 1.65Pa at 25℃
屈折率
20 · n20/D 1.436(lit.)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2% (20 of 1014) of reports.

Danger

H304 (97.5%): 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 1014 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-Tetradecene

1-Tetradecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Tetradecene 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: 28-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2040

1-Tetradecene: Does not have an individual approval but may be used under an appropriate group standard

Fire Hazards · 2 件

Combustible. (USCG, 1999)

Combustible.

Fire PotentialFIRE HAZARD: LOW CAN REACT WITH OXIDIZING MATERIALS.
Health HazardsLIQUID: Irritating to eyes. (USCG, 1999)
Hazards SummaryMay cause eye irritation; [HSDB] If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. The liquid defats the skin. [ICSC] May cause irritation; [MSDSonline]
Reactive GroupHydrocarbons, Aliphatic Unsaturated

安全と保護具

Fire Fighting · 2 件

Extinguish with dry chemical, foam, or carbon dioxide. Water may be ineffective on fire. Cool exposed containers with water. (USCG, 1999)

Use dry powder, dry sand, 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 AidEYES: flush with water for 15 minutes. (USCG, 1999)
Safe StorageSeparated from strong oxidants.
Fire Fighting ProceduresCARBON DIOXIDE, DRY CHEMICAL.
Nonfire Spill ResponseStop discharge if possible. Isolate and remove discharged material. Notify local health and pollution control agencies. (USCG, 1999)

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: If released to soil, estimated soil adsorption coefficients ranging from 19,700 to 32,300(1-3,SRC) indicate that 1-tetradecene will be essentially immobile in soil(4). Its estimated Henry's Law constant, 8.48 atm-cu m/mole(3,SRC), indicates that 1-tetradecene may rapidly volatilize from moist soil to the atmosphere although expected strong adsorption to soil may attenuate the rate of this process(SRC). The vapor pressure of 1-tetradecene, 1.5X10-2 mm Hg at 25 °C(2) indicates that volatilization from dry soil to the atmosphere will be very slow. Pure culture studies indicate that 1-tetradecene has the potential to biodegrade in soil under aerobic conditions(5-10,SRC).

AQUATIC FATE: If released to water, estimated bioconcentration factors ranging from 17500 to 51000(1-3,SRC) indicate that 1-tetradecene will bioconcentrate in fish and aquatic organisms(SRC). Estimated soil adsorption coefficients ranging from 19,700 to 32,300(1-3,SRC) indicate that it will strongly adsorb to sediment and suspended organic matter(SRC). Its estimated Henry's Law constant, 8.48 atm-cu m/mole(3,SRC), indicates that 1-tetradecene may rapidly volatilize from water to the atmosphere. The estimated half-life for volatilization from a model river 1 m deep flowing at 1 m/sec with a wind speed of 3 m/sec is 4.1 hrs(1,SRC). Its expected strong adsorption to soil may attenuate the rate of this process. The estimated half-life for volatilization from a model pond, which takes into account adsorptive processes, is 7.3 months(4,SRC). Pure culture studies indicate that 1-tetradecene has the potential to biodegrade in water under aerobic conditions(5-10,SRC).

ATMOSPHERIC FATE: If released to the atmosphere, 1-tetradecene may undergo removal by gas-phase reactions with atmospheric oxidants. An estimated rate constant for the gas-phase reaction of 1-tetradecene with photochemically produced hydroxyl radicals of 4.2X10-13 cu cm/molec sec(1,SRC) translates to an atmospheric half-life of 9.3 hrs using an average atmospheric hydroxyl radical concn of 5X10+5 molec/cu cm(1). An estimated rate constant for the gas-phase reaction of 1-tetradecene with ozone of 1.2X10-17 cu cm/molec sec(1,SRC) translates to an atmospheric half-life of 23 hrs(SRC) using an average atmospheric ozone concn of 7X10+11 molec/cu cm(1).

Signs and SymptomsDry skin.
Effluent Concentrations1-Tetradecene was identified as a semi-volatile emission during the combustion of agricultural plastics(1).
ICSC Environmental DataBioaccumulation of this chemical may occur in aquatic organisms.
Soil Adsorption/Mobility · 1 件

Estimated soil adsorption coefficients ranging from 19,700 to 32,300 can be calculated for 1-tetradecene using appropriate regression equations(1) and its estimated water solubility, 4.0X10-4 mg/L at 25 °C(1,SRC) obtained from a vapor pressure of 1.5X10-2 mm Hg at 25 °C(2) and estimated Henry's Law constant of 8.48 atm-cu m/mole at 25 °C(3,SRC), and its estimated octanol/water partition coefficient, 7.3(1,SRC), obtained from its estimated water solubility. These soil adsorption coefficients indicate that 1-tetradecene will be essentially immobile in soil(4).

Natural Pollution Sources1-Tetradecene is of anthropogenic origin and it is not known to be produced in nature. (SRC)

安全データ

F
10-23
wgk
3
tsca
TSCA listed
ridadr
UN 1993 / PGIII
hs_code
29012990
risk_code
36/37-66-65

化学と産業

薬理情報

Metabolism/MetabolitesCANDIDA GROWN IN MINERAL-SALTS HYDROCARBON MEDIUM USING 1-TETRADECENE AS SUBSTRATE. 1,2-DIOLS & OMEGA-UNSATURATED FATTY ACIDS DETERMINED.

用途と製造

Uses · 4 件

Used as a chemical intermediate and as a solvent in perfumes, flavors, medicines, dyes, oils, and resins; [HSDB]

CHEMICAL INTERMEDIATE (AS PART OF ALKENE MIXT)

IN LINEAR ALPHA-OLEFIN MIXTURE FOR PRODN OF SULFONATES; CHEM INT FOR N-TETRADECYL DIMETHYL AMINE

SOLVENT IN PERFUMES, FLAVORS, MEDICINES, DYES, OILS, RESINS

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 · 3 件

2023: 400,000,000 - <550,000,000 lb

(1972) 1.6X10+11 G (ALL C6-C20 ALPHA OLEFINS)

(1975) 1.7X10+11 G (EST-LINEAR ALPHA-OLEFINS)

Consumption PatternsAN ESTIMATED 9.1X10+9 GRAMS OF LINEAR ALPHA-OLEFINS (PROBABLY MOSTLY C14-C18) WERE USED FOR PRODUCTION OF ALPHA-OLEFIN SULFONATE SURFACTANTS (1974)
Consumer UsesSolvent
Industry UsesFuel

応用分野

使用1-Tetradecene is a useful organic building block

補足説明

定義本品は、次の化学式で表される不飽和の炭化水素である。

定義ChEBI: An unbranched fourteen-carbon alkene with one double bond between C-1 and C-2.

関連反応

4 件

関連ノート

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