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Pentadecylbenzene

HCID 16476
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2131-18-2
표준 SMILES
CCCCCCCCCCCCCCCc1ccccc1
InChIKey
JIRNEODMTPGRGV-UHFFFAOYSA-N
분자식
C21H36
평균 분자량
288.5 g/mol
단동위원소 질량
288.28170115

이름 및 식별자

우선 이름
Pentadecylbenzene
IUPAC
pentadecylbenzene
영어명
1-Phenylpentadecane
분자식
C21H36
분자량
288.51

이름 및 동의어

Pentadecylbenzene1-PhenylpentadecaneBenzene, pentadecyl-N-PENTADECYLBENZENEFLW4P997AOPENTADECYLBENZOLNSC-88949UNII-FLW4P997AODTXSID5051860HSDB 5866N-PENTADECYLBENZENE [HSDB]EINECS 218-352-0
이름 더 보기
PHENYLPENTADECANEpentadecyl-benzenbenzene,pentadecyl-1-phenyl-pentadecanPentadecylbenzene>pentadecane,1-phenyl-Pentadecane, 1-phenyl-
NSC 88949nPentadecylbenzene1PhenylpentadecaneBenzene, pentadecylPentadecane, 1phenylRefChem:171348DTXCID4030417218-352-0

데이터베이스 식별자

CAS
2131-18-2、68890-99-3
PubChem CID
16476
DTXSID
DTXSID5051860
UNII
FLW4P997AO
EC Number
218-352-0
Nikkaji
J108.122E

물성

구조 계산 물성

XLogP
10.4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
14
무거운 원자 수
21
형식 전하
0
복잡도
190

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials PropertiesBoiling point
Density0.8548 @ 20 °C
Boiling Point373 °C
Melting Point · 2건

22 °C

22 °C

Vapor Pressure · 2건

0.0000072 [mmHg]

7.2X10-6 mm Hg @ 25 °C

Refractive IndexIndex of refraction: 1.4815 @ 20 °C
Physical Description · 2건

mp = 22 deg C; [HSDB] Liquid; [MSDSonline]

Solid

물리화학적 성질

녹는점
22 °C · 22 °C(lit.)
끓는 점
373 °C · 373 °C(lit.)
밀도
0.855 g/mL · 0.855 g/mL at 20 °C(lit.)
굴절률
20 · n20/D 1.482

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn irritant; [MSDSonline]
Special Reports[ITC/USEPA; Infomation Review #235 (Draft) Mono(C10-16) Alkylbenzenes (1981)]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 및 보호

Disposal Methods · 1건

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.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated log Koc value of 6.5(SRC), determined from an estimated log Kow of 9.42(2,SRC) and a regression-derived equation(3), indicates that n-pentadecylbenzene is expected to be immobile in soil(SRC). Volatilization of n-pentadecylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.79 atm-cu m/mole(SRC), using a fragment constant estimation method(4), but adsorption may severely attenuate this process. n-Pentadecylbenzene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.2X10-6 mm Hg(5).

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Uses · 2건

Used in detergent alkylates; [HSDB]

Component of detergent alkylates.

U.S. Production(1977) 1-10 million lbs
General Manufacturing InformationBenzene, pentadecyl-: INACTIVE

공급사36 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
XI'AN TIANGUANGYUAN BIOTECH CO., LTD.—
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
玛雅试剂

관련 반응

2건
반응 기록 만들기
HRID 141594 반응식
HRID 141594반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 269439 반응식
HRID 269439반응물로uspto-grants-2008_11

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
인화점
12 °C · 12 °C
물리적 상태
투명한 액체
색상
무색~연황색
Henry's Law Constant
1.2 · 1.2×10-5 mol/(m3Pa) at 25℃, HSDB (2015)
EPA
Pentadecylbenzene (2131-18-2)

AQUATIC FATE: Based on a classification scheme(1), an estimated log Koc value of 6.5(SRC), determined from an estimated log Kow of 9.42(2,SRC) and a regression-derived equation(3), indicates that n-pentadecylbenzene 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 0.79 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4), but adsorption may severely attenuate this process(SRC). Volatilization half-lives for a model river and model lake are 5 hours and 7 days, respectively(SRC), using an estimation method(3) if adsorption is neglected. The estimated volatilization half-life from a model pond is 70 years if adsorption is considered(5). River die-away tests have shown that alkylbenzenes are readily biodegradable, with half-lives of 1.7 to 11.4 days for C-10 to C-13 isomers in river water(6). According to a classification scheme(7), a BCF of 35 for dodecylbenzene measured in fish(8) suggests that bioconcentration of n-pentadecylbenzene in aquatic organisms is moderate.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-pentadecylbenzene, which has a vapor pressure of 7.2X10-6 mm Hg at 25 °C(2), is expected to exist solely in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase n-pentadecylbenzene 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 16 hours(SRC) from its estimated rate constant of 2.4X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(3) Particulate-phase n-pentadecylbenzene may be removed from the air by wet and dry deposition(SRC).

Soil Adsorption/Mobility · 1건

The log Koc of n-pentadecylbenzene is estimated as 6.5(SRC), using an estimated log Kow of 9.42(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated log Koc value suggests that n-pentadecylbenzene is expected to be immobile in soil.

Artificial Pollution Sourcesn-Pentadecylbenzene's production and use as a component for detergents and a starting material for linear alkylsulfonates(1,2) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationRiver die-away tests have shown that alkylbenzenes including n-pentadecylbenzene are readily biodegradable, with half-lives of 1.7 to 11.4 days for C-10 to C-13 isomers in river water(1).
Environmental Bioconcentration · 1건

The BCF of n-pentyldecylbenzene was estimated as 3(SRC) from an estimated log Kow of 9.42(1,SRC) and a regression derived equation(2). The BCF value of bluegill sunfish exposed to dodecylbenzene in a flowing aquarium was 35(3). By analogy, the BCF value for n-pentadecylbenzene is expected to be similar(SRC). According to a classification scheme(4), these BCF vales suggest bioconcentration in aquatic organisms is moderate.

Volatilization from Water/Soil · 1건

The Henry's Law constant for n-pentadecylbenzene is estimated as 0.79 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that n-pentadecylbenzene is expected to volatilize rapidly from water surfaces(2), however adsorption may severely attenuate this process(SRC). 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 5 hours if adsorption is neglected(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 days if adsorption is neglected(SRC). The estimated volatilization half-life from a model pond is 70 years if adsorption is considered(3). n-Pentadecylbenzene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur, however adsorption may attenuate this process(SRC). n-Pentadecylbenzene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.2X10-6 mm Hg at 25 °C(4).

Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of n-pentadecylbenzene with photochemically-produced hydroxyl radicals has been estimated as 2.4X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 16 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). n-Pentadecylbenzene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2).

Probable Routes of Human Exposure · 1건

Occupational exposure to n-pentadecylbenzene may occur through inhalation and dermal contact with this compound at workplaces where n-pentadecylbenzene is produced or used. The general population may be exposed to n-pentadecylbenzene via dermal contact with this compound and consumer products containing n-pentadecylbenzene. (SRC)

Environmental Water ConcentrationsTraces of pentadecylbenzene were observed from one source along the Illinois River. The source was a manufacturing site for surfactants, detergents, and plastic moldings.
Environmental Fate/Exposure Summary · 1건

n-Pentadecylbenzene's production and use as a component for detergents and a starting material for linear alkylsulfonates may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 7.2X10-6 mm Hg at 25 °C indicates n-pentadecylbenzene will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase n-pentadecylbenzene will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 16 hours. Particulate-phase n-pentadecylbenzene will be removed from the atmosphere by wet and dry deposition. If released to soil, n-pentadecylbenzene is expected to have no mobility based upon an estimated log Koc of 6.5. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 0.79 atm-cu m/mole, but adsorption may severely attenuate this process. n-Pentadecylbenzene is not expected to volatilize from dry soil surfaces based on its vapor pressure. If released into water, n-pentadecylbenzene is expected to adsorb to suspended solids and sediment in the water column based upon the estimated log Koc. River die-away tests have shown that alkylbenzenes are readily biodegradable, with half-lives of 1.7 to 11.4 days for C-10 to C-13 isomers in river water. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant, but adsorption may severely attenuate this process. Estimated volatilization half-lives for a model river and model lake are 5 hours and 7 days, respectively if adsorption is neglected. The estimated volatilization half-life from a model pond is 70 years if adsorption is considered. A BCF of 35 for dodecylbenzene measured in fish suggests that bioconcentration of n-pentadecylbenzene in aquatic organisms is moderate. Occupational exposure to n-pentadecylbenzene may occur through inhalation and dermal contact with this compound at workplaces where n-pentadecylbenzene is produced or used. The general population may be exposed to n-pentadecylbenzene via dermal contact with this compound and consumer products containing n-pentadecylbenzene. (SRC)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
2902.90.3050
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
기존화학 물질
KE-27909
유해 물질 데이터
2131-18-2(Hazardous Substances Data)
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成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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