1-테트라데센

1-Tetradecene

HCID 14260CAS 1120-36-1

기본 정보

표준 SMILES
C=CCCCCCCCCCCCC
InChIKey
HFDVRLIODXPAHB-UHFFFAOYSA-N
분자식
C14H28
평균 분자량
196.37 g/mol
단동위원소 질량
196.2191009

개요

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

이름 및 식별자

우선 이름
1-Tetradecene
IUPAC
tetradec-1-ene
현지명
1-테트라데센
영어명
1-Tetradecene
분자식
C14H28
분자량
196.37

이름 및 동의어

1-TETRADECENE1120-36-1Tetradec-1-enen-Tetradec-1-ene1-Tetradecylenealpha-Tetradecene1-butadeceneNeodene 14CCRIS 3785DTXSID4027367HSDB 1087AI3-10509
이름 더 보기
1-테트라데센1-테트라데센(1-TETRADECENE)테트라데센Tetradecene-1Dialen 14NeoSolv 4Linealene 141-fourteen ene
EINECS 214-306-9NSC 66434UNII-FW23481S7SFW23481S7SNSC-66434DTXCID907367CHEBI:77505EC 214-306-9

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
7.9
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
11
무거운 원자 수
14

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
-13 · -13--11 °C (lit.)
끓는 점
251 °C · 251 °C (lit.)
밀도
0.775 g/mL · 0.775 g/mL at 25 °C (lit.)
증기 밀도
6.8 · 6.8 (vs air)
증기압
1.65 Pa · 1.65Pa at 25℃
굴절률
20 · n20/D 1.436(lit.)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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 · 2건

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

안전 및 보호

Fire Fighting · 2건

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 · 4건

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)

독성 정보

Environmental Fate · 3건

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 · 1건

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)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993 / PGIII
HS 번호
29012990
risk_code
36/37-66-65
hazard_code
Xi,Xn

화학 및 산업

약리 정보

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

용도 및 제조

Uses · 4건

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 · 2건

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

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

U.S. Production · 3건

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

응용 분야

용도1-Tetradecene is a useful organic building block

추가 설명

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

관련 반응

4건

연결된 노트

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