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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 105
실험 및 물리화학적 성질
Density
0.771 at 68 °F (USCG, 1999) - Less dense than water; will float
0.7745 @ 20 °C/4 °C
Relative density (water = 1): 0.8
Solubility
SOL IN ETHANOL, ETHER, BENZENE
Solubility in water: none
Flash Point
230 °F (USCG, 1999)
110 °C
230 °F (110 °C) (CLOSED CUP)
107 °C c.c.
Boiling Point
484 °F at 760 mmHg (USCG, 1999)
232-234 °C @ 760 MM HG
252 °C
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.)
- 인화점
- 240 °F · 240 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- liquid
- Specific Gravity
- 0.775 · 0.775
- 색상
- 무색의
- 냄새
- 약한 탄화수소 냄새
- 폭발한계
- 0.5 · 0.5-5.4%(V)
- 수용성
- 탄화수소 용매에 용해됩니다. 물에 불용성.
- BRN
- 1701156 · 1701156
- Henry's Law Constant
- 3 · 3.0×10-6 mol/(m3Pa) at 25℃, Brockbank (2013)
- 안정성
- 안정적인. 가연성. 강한 산화제와 호환되지 않습니다.
- 화장품 원료 기능
- 용제피부 컨디셔닝 - 보습제점도 조절
- InChI
- 1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3
- InChIKey
- HFDVRLIODXPAHB-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCC=C
- LogP
- 7.08 at · 7.08 at 20℃
- EPA
- 1 · 1-Tetradecene (1120-36-1)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
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
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
Combustible. (USCG, 1999)
Combustible.
Reactivity Profile
1-TETRADECENE 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.
NFPA Hazard Classification
0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.
1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.
0 - Materials that in themselves are normally stable, even under fire conditions.
안전 및 보호
Fire Fighting
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
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.
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.
독성 정보
Environmental Fate
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).
Soil Adsorption/Mobility
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).
Artificial Pollution Sources
ORG CMPD ISOLATED FROM GRAB OR COMPOSITE SAMPLES OF INDUSTRIAL & MUNICIPAL DISCHARGES & OF THE ILLINOIS RIVER. OF THE 213 CMPD, 74 WERE LONG-CHAIN HYDROCARBONS.
1-Tetradecene is used as a specialty solvent in perfumes, flavors, medicines, dyes, oils and resins(1). It may be released to the environment as a fugitive emission during its production and use, and as a result of the combustion of agricultural plastics(2).
COMMERCIAL HIGH DENSITY POLYETHYLENE CONTAINERS CONTAINED 42-120 PPM 1-TETRACECENE.
Environmental Biodegradation
Incubation of 1-tetradecene with fungi resulted in the formation of tetradecanoic acid, tetradecen-4-ol, 13-tetradecen-4-ol, tetradecen-3-ol, 13-tetradecene-4-on, tetradecan-2-one and tetradecen-3-one(1-2). Pure cultures of Corynebacterium sp.(3), Pseudomonas aerginosa(4), Micrococcus cerficans(5), and members of the genus Candida(6) were found to oxidize 1-tetradecene under aerobic conditions.
Environmental Bioconcentration
Estimated bioconcentration factors ranging from 17500 to 51000(1,SRC) 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 values indicate that 1-tetradecene will bioconcentrate in fish and aquatic organisms(SRC).
Volatilization from Water/Soil
Based on an estimated Henry's Law constant of 8.48 atm-cu m/mole at 25 °C(1,SRC), 1-tetradecene is expected to rapidly volatilize from water and moist soil 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(2,SRC). Its expected strong adsorption to soil and sediment may attenuate the rate of this process(SRC). The estimated half-life for volatilization from a model pond, which takes into account adsorptive processes, is 7.3 months(3,SRC). The vapor pressure of 1-tetradecene, 1.5X10-2 mm Hg at 25 °C(4) indicates that volatilization from dry soil will not be an important fate process(SRC).
Non-Human Toxicity Excerpts
THE TOXICITY OF N-ALKENES TOWARD CANDIDA TROPICALIS WAS RELATED TO THEIR SOLUBILITIES IN AN AQ MEDIUM. N-ALKENES LONGER THAN C12 GENERALLY DID NOT INHIBIT YEAST GROWTH AND RESPIRATION.
SATURATED FATTY ACIDS CONTAINING EVEN NUMBERS OF CARBON ATOMS WERE SYNTHESIZED BY MICROBES FROM 1-DODECENE & 1-TETRADECDNE. 14-PENTADECENOIC ACID WAS SYNTHESIZED FROM 1-TETRADECENE.
13-TETRADECENOIC ACID WAS ISOLATED FROM CULTURE FLUID OF PSEUDOMONAS AERUGINOSA STRAIN SOL 20 GROWN ON 1-TETRADECENE AS THE SOLE CARBON SOURCE. THIS ACID WAS NOT PRODUCED WHEN N-TETRADECANE WAS THE GROWTH SUBSTRATE.
CELLS GROWN ON 1-TETRADECENE INCORPORATED UNSATURATED SUBSTRATE INTO CELLULAR FATTY ACID AFTER OXIDATION OF THE SATURATED END.
Environmental Abiotic Degradation
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(SRC) 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).
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 / PGIII
- HS 번호
- 29012990
- risk_code
- 36/37-66-65
- hazard_code
- Xi,Xn
- safety_code
- 26-36-62
- 기존화학 물질
- KE-33369
- F 고인화성물질
- 10-23
- 자연 발화 온도
- 455 °F
- Hazard Classifications
- Asp. Tox. 1
- 스토리지 클래스
- 10 - Combustible liquids
- 유해 물질 데이터
- 1120-36-1(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
Uses
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
(1974) 3.4X10+10 G (ALL C6-C20 ALPHA-OLEFINS)
(1975) 2.27X10+10 G (EST-LINEAR ALPHA-OLEFINS)
U.S. Production
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)
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
1-Tetradecene: ACTIVE
응용 분야
용도1-Tetradecene is a useful organic building block
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
정의ChEBI: An unbranched fourteen-carbon alkene with one double bond between C-1 and C-2.
관련 반응
연결된 노트
불러오는 중…