인딘

Indene

HCID 7219CAS 71551-80-9

기본 정보

표준 SMILES
C1=Cc2ccccc2C1
InChIKey
YBYIRNPNPLQARY-UHFFFAOYSA-N
분자식
C9H8
평균 분자량
116.16 g/mol
단동위원소 질량
116.06260026

개요

Indene appears as a colorless liquid derived from coal tar. Fp: -2 °C; bp:182 °C. Density 0.997 g cm-3. Insoluble in water but soluble in organic solvents.

이름 및 식별자

우선 이름
Indene
IUPAC
1H-indene
현지명
인딘
영어명
Indene
분자식
C9H8
분자량
116.16

이름 및 동의어

INDENE1H-Indene95-13-6IndonaphtheneIndenDTXSID8042052NSC 927067H8Y6LB8ANSC-9270DTXCID6022052CHEBI:41921RefChem:790898
이름 더 보기
인덴인딘1H-인덴인도나프텐Technicalindenendene1-indeneIndene >Indene,90+%Indene techIndene Odor
CHEBI:37910202-393-6MFCD00003777CHEMBL1928129003-64-9Indenyl radicalHSDB 5286EINECS 202-393-6

데이터베이스 식별자

CAS
71551-80-9、9003-64-9、95-13-6
PubChem CID
7219
DTXSID
DTXSID8042052
ChEMBL
CHEMBL192812、CHEMBL506735
ChEBI
CHEBI:41921
UNII
67H8Y6LB8A
EC Number
202-393-6
Nikkaji
J4.708B

물성

구조 계산 물성

XLogP
2.9
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Aromatic Hydrocarbons

Flammable agents - 2nd degree

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (1H-Indene) -> IFRA transparency List
LogPLog Kow = 2.92
Density · 5건

0.997 (NIOSH, 2024) - Less dense than water; will float

0.9968 @ 20 °C/4 °C

0.997

0.996 @25 °C

0.997

Color/Form · 3건

LIQUID

Colorless liquid

Colorless liquid [Note: A solid below 29 degrees F].

물리화학적 성질

녹는점
-5 · -5--3 °C (lit.)
끓는 점
181 · 181-182 °C (lit.)
밀도
0.996 g/mL · 0.996 g/mL at 25 °C (lit.)
증기압
1.7 hPa · 1.7 hPa (20 °C)
굴절률
20 · n20/D 1.595(lit.)
인화점
138 °F · 138 °F

화학적 성질

Yellow green clear liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.5% (2 of 400) of reports.

Danger

H226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 400 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 5건

Chemical: 1H-Indene

1H-Indene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Indene 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: 26-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27751

Indene: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Fire PotentialDEFLAGRATES ON HEATING. /INDENE PICRATE/
Health HazardsExcerpt from NIOSH Pocket Guide for Indene:
Hazards SummaryAnimals exposed to 800-900 ppm for six 7-hour periods show evidence of liver and kidney injury. [ACGIH]

안전 및 보호

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First Aid · 2건

Excerpt from NIOSH Pocket Guide for Indene:

(General first aid procedures)

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
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.

Preventive Measures · 2건

The worker should wash daily at the end of each work shift.

Work clothing that becomes wet or significantly contaminated should be removed and replaced.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

독성 정보

Body Burden · 1건

Indene was detected in respiratory gas from 7 of 8 male volunteers (3 smokers) at a concn range of 0.14-83 ug/hr-expired air; according to this study, indene may result from or be related to normal human metabolism(1). Indene was found at an average concn of 0.138 ng/L in 59 of 387 expired air samples obtained from 54 nonsmoking-volunteers(2).

Target OrgansEyes, skin, respiratory system, liver, kidneys, spleen
Environmental Fate · 3건

TERRESTRIAL FATE: The estimated Koc value of 540(1-2,SRC) suggests that indene will have low mobility in soil(3). If spilled on soil surfaces, some indene may photolyze(4,SRC) or volatilize into the air (estimated Henry's Law constant of 1.59X10-3 atm-cu m/mol at 25 °C(5)). However, adsorption may limit these processes(SRC). Limited data suggest indene is biodegradable in soil(6-7).

AQUATIC FATE: Based on the estimated Koc value of 540(1-2,SRC), indene may adsorb to sediment; indene was found in a river sediment(3). Oxidation via reaction with sunlight produced alkyl peroxy radicals is very slow (estimated half-life of 1,100 days(4)). Limited data suggest indene is biodegradable. Indene may be susceptible to some direct photolysis in sunlight(5); however, this is not expected to be an important removal process(SRC). Indene is not expected to hydrolyze in the aquatic environments(SRC). Volatilization from water is fast with estimated half-lives of 3.7 hrs and 4.4 days from a model river and model lake, respectively(1,SRC).

ATMOSPHERIC FATE: Based upon a measured vapor pressure of 1.1 mm Hg at 25 °C(1), indene is expected to exist almost entirely in the vapor phase in the ambient atmosphere(2,SRC). Vapor-phase indene will degrade rapidly in the ambient atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 6.2 hours(3,SRC).

Food Survey ValuesIndene was qualitatively identified as a volatile component of roasted filberts(1).
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure Routesinhalation, ingestion, skin and/or eye contact

안전 데이터

OEB
A
OEL
TWA: 10 ppm (45 mg/m3)
wgk
1
tsca
TSCA listed
rtecs
NK8225000
ridadr
UN 3295 3/PG 3

화학 및 산업

약리 정보

Metabolism/Metabolites · 3건

YIELDS CIS-1,2-DIHYDROXYINDANE & TRANS-1,2-DIHYDROXYINDANE IN RABBITS. /FROM TABLE/

RAT-LIVER MICROSOMES SUPPLEMENTED WITH NADPH CONVERTED INDENE INTO TRANS-INDANE-1,2-DIOL ...

THE OXIDATION OF INDENE TO TRANS-1,2-DIHYDROXYINDANE IN LIVER PREPN IN VITRO WAS DEMONSTRATED. THE REACTION WAS MEDIATED BY LIVER MICROSOMES OF RATS & RABBITS IN THE PRESENCE OF NADPH-GENERATING SYSTEMS.

용도 및 제조

Uses · 4건

Used to prepare coumarone-indene resins; [ACGIH]

Plastic Composites Manufacturing [Category: Industry]

Used as a comonomer in coumarone and petroleum-derived aromatic hydrocarbon resins. Technical pure indene is used for the production of indan and its derivatives. Esters of indene-1-carboxylic acid, which are effective as acaricides, can be synthesized from indene for use in, eg, collars

It is composed of a benzene ring fused with a cyclopentene ring.

U.S. Production2023: 500,000 - <1,000,000 lb
Industry UsesMonomers
Methods of Manufacturing · 2건

... FROM ACETYLENE OVER ACTIVATED CHARCOAL @ 625 °C ... MFR FROM TETRAHYDRONAPHTHALENE BY PASSING OVER SIO2-AL2O3 CATALYST @ 670 °C

Pyrolysis residual oils from olefin production contain varying amounts of indene, which can be separated by extractive distillation with N-methyl-2- pyrrolidone or by crystallization. Indene is recovered industrially from dephenolated and debased tar light oil by rectifying distillation followed by crystallization. When the phenol extraction is omitted a highly concentrated indene fraction can also be obtained by azeotropic distillation of an indene- phenol fraction with water, whereby the phenol is separated as a bottom product.

Use ClassificationFragrance Ingredients
General Manufacturing Information · 2건

Petrochemical Manufacturing

1H-Indene: ACTIVE

응용 분야

용도Preparation of coumarone-indene resins, intermediate.

일반 설명A colorless liquid derived from coal tar. Fp: -2°C; bp:182°C. Density 0.997 g cm-3. Insoluble in water but soluble in organic solvents.

추가 설명 · 1건

정의indene: A colourless flammable hydrocarbon,C9H8; r.d. 0.996; m.p.–1.8°C; b.p. 182.6°C. Indene is anaromatic hydrocarbon with a five-memberedring fused to a benzenering. It is present in coal tar and isused as a solvent and raw materialfor making other organic compounds.

관련 반응

215건

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