Decylbenzene

HCID 7716CAS 104-72-3

기본 정보

표준 SMILES
CCCCCCCCCCc1ccccc1
InChIKey
UZILCZKGXMQEQR-UHFFFAOYSA-N
분자식
C16H26
평균 분자량
218.38 g/mol
단동위원소 질량
218.20345083

개요

N-decylbenzene is a white liquid. Floats on water. (USCG, 1999)

이름 및 식별자

우선 이름
Decylbenzene
IUPAC
decylbenzene
영어명
n-Decylbenzene
분자식
C16H26
분자량
218.38

이름 및 동의어

1-PhenyldecaneDECYLBENZENEn-DecylbenzeneBenzene, decyl-phenyldecanen-decyl benzeneDTXSID5051529HSDB 920UNII-KIR29W0BP0EINECS 203-230-1KIR29W0BP0NSC 74191
이름 더 보기
NSC-741911-PHENYL-N-DECANEN-DECYLBENZENE [HSDB]DTXCID6030079nDecylbenzene1PhenyldecaneBenzene, decylDecane, 1phenyl

데이터베이스 식별자

CAS
104-72-3
PubChem CID
7716
DTXSID
DTXSID5051529
ChEBI
CHEBI:183288
UNII
KIR29W0BP0
EC Number
203-230-1
Nikkaji
J121.267B

물성

구조 계산 물성

XLogP
7.7
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
9
무거운 원자 수
16

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Aromatic Hydrocarbons

Alkylbenzene

SpringerMaterials PropertiesBoiling point
LogP · 2건

log Kow= 7.37

7.4

Density · 2건

0.855 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8555 @ 20 °C

Viscosity1.5327X10-2 Pa.s @ 253.15 K
Color/FormCOLORLESS LIQUID

물리화학적 성질

녹는점
-14.4 °C · -14.4 °C
끓는 점
298 °C · 298 °C
밀도
0.8555 g/cm3 · 0.8555 g/cm3

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelClass 9
Fire HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Health Hazards · 1건

Inhalation of vapor causes slight irritation of nose and throat. Aspiration of liquid into lungs causes coughing, distress, and pulmonary edema. Ingestion causes irritation of stomach. Contact with vapor or liquid causes irritation of eyes and mild irritation of skin. (USCG, 1999)

Hazards SummaryAn eye irritant; A mild skin, nose, and throat irritant; [CAMEO] An irritant; [MSDSonline] See Dodecylbenzene.
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1건

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as N-DECYLBENZENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction. May attack some forms of plastics (USCG, 1999).

안전 및 보호

Fire FightingFire Extinguishing Agents Not to Be Used: Water or foam may cause frothing.
First AidINHALATION: move to fresh air.
Fire Fighting Procedures · 2건

DRY CHEMICAL, CARBON DIOXIDE.

WATER OR FOAM MAY CAUSE FROTHING.

Nonfire Spill ResponseExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
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.

Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2.4X10+5(SRC), determined from a regression derived equation(2), indicates that decylbenzene is expected to be immobile in soil(SRC). Microbial metabolism is expected to be the primary degradation process for linear alkyl benzenes(LAB) in nature(3). LAB undergoes rapid primary biodegradation in natural waters and the same is expected to occur in soil environments(3). Volatilization of decylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.0761 atm-cu m/mole(SRC), using a fragment constant estimation method(4). However, adsorption to soil is expected to attenuate volatilization(SRC). Decylbenzene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.28X10-3 mm Hg(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2.4X10+5(SRC), determined from a regression derived equation(2), indicates that decylbenzene is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(2) based upon an estimated Henry's Law constant of 0.0761 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). Volatilization half-lives for a model river and model lake are 4.33 hrs and 140 hrs, respectively(SRC), using an estimation method(3). However, the volatilization half-life does not take into account the effects of adsorption. An estimated Koc of 2.4X10+5 suggests that volatilization could be attenuated by adsorption to suspended solids and sediments in water(SRC). This is apparent from the results of two EXAMS model runs, one in which the effect of adsorption was considered, yielding an estimated half-life of 57 months in a model pond 2 m deep, and one in which the effect of adsorption was ignored, yielding an estimated half-life of 65 hrs in a model pond 2 m deep(4). River die-away tests have shown linear alkyl benzenes are readily biodegradable with half-lives of 7.3 and 11.4 days for C-10 isomers(5). A BCF of 35(6) for dodecylbenzene measured in fish suggests that bioconcentration of decylbenzene in aquatic organisms is moderate(7).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), decylbenzene, which has a vapor pressure of 1.28X10-3 mm Hg at 25 °C(2) is expected to exist solely in the vapor-phase in the ambient atmosphere. Vapor-phase decylbenzene 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 22.4 hrs(SRC), calculated from its estimated rate constant of 1.72X10-11 cu cm/molecule-sec at 25 °C(SRC)determined using a structure estimation method(3).

Food Survey ValuesDecylbenzene was detected in beef presumably derived from the thermal oxidative decomposition of lipids, concentration not specified(1).
Soil Adsorption/Mobility · 1건

The Koc of decylbenzene is estimated as 2.4X10+5(SRC), using a log Kow of 7.37(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that decylbenzene is expected to be immobile in soil.

Natural Pollution SourcesDecylbenzene has been detected in beef products, presumably derived from the thermal oxidative decomposition of lipids(1).
Artificial Pollution Sources · 1건

Decylbenzene's production and use as in linear alkyl sulfonate(LAS) detergents(1) may result in its release to the environment through various waste streams. The vast majority of manufactured linear alkylbenzenes (LAB) are converted to LAS detergents which may contain 1 to 3% residual unsulfonated LAB(1).

Environmental BiodegradationRiver die-away tests have shown linear alkyl benzenes are readily biodegradable with half-lives of 7.3 and 11.4 days for C-10 isomers(1). Linear alkyl benzene compounds are readily biodegradable in natural waters(1).

화학 및 산업

용도 및 제조

Uses · 2건

Used to make linear alkyl sulfonates; [HSDB]

For production of linear alkyl sulfonates

Methods of Manufacturing · 1건

REACTION OF BENZENE WITH MONOCHLOROPARAFFIN MIXTURES (ALUMINUM CHLORIDE CATALYST COMPLEX) OR INTERNAL OLEFIN MIXTURES (HYDROGEN FLUORIDE CATALYST) FORMS A MIXTURE OF LINEAR ALKYLBENZENES WITH CHAIN LENGTHS OF C10 TO C14 (C12 OR C13 AVERAGE)

General Manufacturing Information · 2건

Benzene, decyl-: ACTIVE

INCOMPATIBILITIES: MAY ATTACK SOME FORMS OF PLASTICS.

공급사50 곳

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

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