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1-Tetracosanol

HCID 10472
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
506-51-4
표준 SMILES
CCCCCCCCCCCCCCCCCCCCCCCCO
InChIKey
TYWMIZZBOVGFOV-UHFFFAOYSA-N
분자식
C24H50O
평균 분자량
354.7 g/mol
단동위원소 질량
354.38616621

개요

Tetracosan-1-ol is a very long-chain primary fatty alcohol that is tetracosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from a variety of plants, including grape seeds, evening primrose (Oenothera biennis), pitaya fruits (Hylocereus polyrhizus and Hylocereus undatus), and the flowers of Arabian jasmine ( Jasminum sambac). It has a role as a vulnerary and a plant metabolite. It is a very long-chain primary fatty alcohol and a tetracosanol.

이름 및 식별자

우선 이름
1-Tetracosanol
IUPAC
tetracosan-1-ol
영어명
1-Tetracosanol
분자식
C24H50O
분자량
354.65

이름 및 동의어

1-Tetracosanol506-51-4LIGNOCERYL ALCOHOLTetracosan-1-olLignoceroln-TetracosanolTetracosyl alcoholLignoceric alcoholn-Tetracosanol-12N0PI37IOCNSC 93768HSDB 5674
이름 더 보기
TETRACOSANOLcarnaubyl alcoholALCOHOL C24etracosan-1-ol
UNII-2N0PI37IOCEINECS 208-043-9NSC-93768DTXSID8027161CHEBI:77413EC 208-043-9RefChem:25873DTXCID107161

데이터베이스 식별자

CAS
506-51-4
PubChem CID
10472
DTXSID
DTXSID8027161
ChEBI
CHEBI:77413
UNII
2N0PI37IOC
EC Number
208-043-9
Nikkaji
J116.891F

물성

구조 계산 물성

XLogP
11.6
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
22
무거운 원자 수
25
형식 전하
0
복잡도
214

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
PolymersOther Classes -> Alcohols and Polyols, Other
DensityWaxy consistency ... lower specific density than water ... odorless except for traces of impurities such as carbonyl compounds and hydrocarbons, which are usually present. ... /Tetradecanol and higher alcohols/
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point210 °C at 0.4 mm Hg
Melting Point77 °C
Physical DescriptionWhite powder; [MSDSonline]
Other Experimental Properties · 2건

Immiscible in water /Decanol and higher fatty alcohols/

Common organic solvents such as petroleum ether, lower alcohols, and diethyl ether are suitable solvents for fatty alcohols. /Fatty alcohols/

물리화학적 성질

녹는점
75 · 75-77 °C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 85.9% (128 of 149) of all reports.

Warning

H319 (10.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 8 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Tetracosanol

REACH registered substance: Tetracosanol (EC: 208-043-9)

1-Tetracosanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - 1-Tetracosanol: Human health tier I assessment
Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and CategoriesEye Irrit. 2 (10.1%)

안전 및 보호

Disposal Methods · 1건

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

화학 및 산업

용도 및 제조

Uses · 3건

Used as intermediates; Fatty alcohols with chain lengths >18 are used to prevent evaporation of water reservoirs during dry seasons; Naturally occurring in lanolin and green leaf composite samples; [HSDB]

The industrial importance of fatty alcohols is due to the large number of reactions that the hydroxyl group may undergo ... many of the resulting derivatives are intermediates of commercial importance /Fatty alcohols/

Fatty alcohols with chain lengths greater than 18 ... are suitable for protection of water reservoirs against evaporation during dry seasons ... evaporation can be reduced up to 50% /Fatty alcohols/

U.S. Production · 1건

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

General Manufacturing Information · 2건

1-Tetracosanol: ACTIVE

Lanolin was saponified and extracted with petroleum ether. The natural fraction of lanolin obtained (wool wax alcohols) was treated with digitonin. After thin-layer chromatography, 5 fractions were isolated from the digitonin-negative fraction from which several steroidal hydrocarbons, including lignoceryl alcohol, were isolated.

응용 분야

용도1-Tetracosanol is a useful reagent for organic synthesis.

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

관련 반응

1건
반응 기록 만들기
HRID 2242761 반응식
HRID 2242761반응물로uspto-grants-2010_03

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
끓는 점
190 °C · 190 °C
밀도
0.839 · 0.839
증기압
0 Pa · 0Pa at 25℃
굴절률
1.4471 · 1.4471 (estimate)
인화점
142 ℃ · 142℃
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 헥산(약간 용해됨)
산도 계수 (pKa)
15.2 · 15.20±0.10(Predicted)
물리적 상태
반짝이는 플레이크 또는 푹신한 파우더
색상
하얀색
수용성
1 μg/L · 1μg/L at 25℃
BRN
1777129 · 1777129
Henry's Law Constant
3.4 · 3.4×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
InChI
1S/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3
InChIKey
TYWMIZZBOVGFOV-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCO
LogP
15 at · 15 at 20℃
EPA
1 · 1-Tetracosanol (506-51-4)

화학적 성질

white shiny flakes or fluffy powder

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5.1X10+5(SRC), determined from a structure estimation method(2), indicates that 1-tetracosanol is expected to be immobile in soil(SRC). Volatilization of 1-tetracosanol from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.9X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to mosit soil is expected to attenuate volatilization(SRC). 1-Tetracosanol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.4X10-9 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2006), but long chain linear alcohols are expected to biodegrade(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5.1X10+5(SRC), determined from a structure estimation method(2), indicates that 1-tetracosanol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 2.9X10-3 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 6 hours and 7.6 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 14 years if adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of 11(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2006), but long chain linear alcohols are expected to biodegrade(8).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-tetracosanol, which has an estimated vapor pressure of 2.4X10-9 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase lignoceryl alcohol 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 11 hours(SRC), calculated from its rate constant of 3.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase 1-tetracosanol may be removed from the air by wet or dry deposition(SRC).

Plant Concentrations1-Tetracosanol emission rates from green leaf composite samples and dead leaves were 470 ug/g and 240 ug/g, respectively(1).
Effluent Concentrations · 1건

1-Tetracosanol emission rates from wood smoke were calculated as 2.9 ug/g, 0.7 ug/g, and 2.9 ug/g from oak, eucalyptus and pine, respectively(1). 1-Tetracosanol emission rate from road dust samples was 22 ug/g(2). 1-Tetracosanol emission rate from pine wood (Pinus elliottii) smoke was measured at 1163 ng/g of burnt wood(3). 1-Tetracosanol was identified in smoke from the burning of chitin biopolymers(4).

Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1-tetracosanol can be estimated to be 5.1X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-tetracosanol is expected to be immobile in soil.

Natural Pollution Sources1-Tetracosanol has been found in lanolin(1). 1-Tetracosanol emission rates from green leaf composite samples and dead leaves were 470 ug/g and 240 ug/g, respectively(2).
Artificial Pollution Sources · 1건

1-Tetracosanol's production and possible use as a chemical intermediate(1) may result in its release to the environment through various waste streams. It's possible use as a water reservoir evaporation inhibitor(1) would result in its direct release to the environment.

Environmental BiodegradationBiodegradation data for lignoceryl alcohol were not available(SRC, 2006), but long chain linear alcohols are expected to biodegrade(1).
Sediment/Soil ConcentrationsSEDIMENT: 1-Tetracosanol was reported as extractable concentrations of 148 and 254 ng/g and bonded concentrations of 78 and 104 ng/g in anoxic continental slope sediment off southwestern Taiwan(1).
Environmental Bioconcentration · 1건

An estimated BCF of 3 was calculated for 1-tetracosanol(SRC), using an estimated log Kow of 10.66(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1건

The Henry's Law constant for 1-tetracosanol is estimated as 2.9X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-tetracosanol is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 7.6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 14 years if adsorption is considered(3). 1-Tetracosanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Tetracosanol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.4X10-9 mm Hg(SRC), determined from a fragment constant method(4).

Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of 1-tetracosanol with photochemically-produced hydroxyl radicals has been estimated as 3.5X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 11 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1-Tetracosanol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2).

Probable Routes of Human Exposure · 1건

NIOSH (NOES Survey 1981-1983) has statistically estimated that 1281 workers (1064 of these are female) are potentially exposed to 1-tetracosanol in the US(1). Occupational exposure to 1-tetracosanol may occur through dermal contact with products containing this compound(SRC). Monitoring data indicate that the general population may be exposed to 1-tetracosanol via inhalation of ambient air and through dermal contact with products containing 1-tetracosanol(SRC).

안전 데이터

wgk
-
tsca
TSCA listed
HS 번호
29051900
safety_code
22-24/25
기존화학 물질
KE-33318
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
506-51-4(Hazardous Substances Data)
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
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江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
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四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
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艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
추가 설명 · 1건

정의ChEBI: A long-chain primary fatty alcohol that is tetracosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from a variety of plants, including grape seeds, evening primrose (Oenothera bienn s), pitaya fruits (Hylocereus polyrhizus and Hylocereus undatus), and the flowers of Arabian jasmine ( Jasminum sambac).