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1,2,3,5-Tetramethylbenzene

HCID 10695
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
527-53-7
표준 SMILES
Cc1cc(C)c(C)c(C)c1
InChIKey
BFIMMTCNYPIMRN-UHFFFAOYSA-N
분자식
C10H14
평균 분자량
134.22 g/mol
단동위원소 질량
134.10955045

개요

1,2,3,5-tetramethylbenzene appears as a pale yellow to white liquid with a camphor-like odor. Flash point 165 °F. Less dense than water and only negligibly soluble in water. Slightly irritates the skin and eyes. Slightly toxic by ingestion but may irritate the mouth, throat and gastrointestinal tract.

이름 및 식별자

우선 이름
1,2,3,5-Tetramethylbenzene
IUPAC
1,2,3,5-tetramethylbenzene
영어명
1,2,3,5-Tetramethylbenzene
분자식
C10H14
분자량
0

이름 및 동의어

1,2,3,5-TETRAMETHYLBENZENE527-53-7IsodureneBenzene, 1,2,3,5-tetramethyl-1,3,4,5-TetramethylbenzeneDTXSID60261190JBI5Y5A5ZDTXCID706119NSC-8091RefChem:791853208-417-1UNII-0JBI5Y5A5Z
이름 더 보기
NSC 8091MFCD000085241,2,3,5-tetramethyl-benzeneAKOS009031098EINECS 208-417-1CCRIS 8661Tetramethylbenzene, 1,2,3,5-ISODURENE [MI]

데이터베이스 식별자

CAS
527-53-7
PubChem CID
10695
DTXSID
DTXSID6026119
ChEMBL
CHEMBL1797133
UNII
0JBI5Y5A5Z
EC Number
208-417-1
Nikkaji
J6.670B

물성

구조 계산 물성

XLogP
4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
10
형식 전하
0
복잡도
94.6

실험 및 물리화학적 성질

Chemical ClassesVolatile Organic Compound (VOC)
SolventsSolvents -> Aromatic Solvents
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.17
Density · 2건

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

0.896 @25 °C

Flash Point146 °F (USCG, 1999)
Boiling Point · 2건

388.4 °F at 760 mmHg (USCG, 1999)

197 °C @760 [mm Hg]

Melting Point-10.6 °F (USCG, 1999)
Vapor Density4.63 (USCG, 1999) - Heavier than air; will sink (Relative to Air)
Vapor Pressure0.49 [mmHg]
Physical Description · 3건

1,2,3,5-tetramethylbenzene appears as a pale yellow to white liquid with a camphor-like odor. Flash point 165 °F. Less dense than water and only negligibly soluble in water. Slightly irritates the skin and eyes. Slightly toxic by ingestion but may irritate the mouth, throat and gastrointestinal tract.

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 2.5% (3 of 121) of reports.

Warning

H315 (23.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 121 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Benzene, 1,2,3,5-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2,3,5-tetramethyl- 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)

Benzene, 1,2,3,5-tetramethyl-: 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.

DOT LabelCombustible Liquid
Fire HazardsCombustible. (USCG, 1999)
Health Hazards · 1건

CALL FOR MEDICAL AID. LIQUID: Irritating to skin, eyes, and respiratory tract. Remove contaminated clothing and shoes. Flush affected areas with plenty of water. IF IN EYES, hold eyelids open and flush with plenty of water. VAPORS: Irritating to skin, eyes and respiratory tract. Move to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. IF IN EYES, hold eyelids open and flush with plenty of water. Harmful if inhaled or swallowed. Vapor or mist is irritating to the eyes, mucous membranes, and upper respiratory tract. Prolonged contact can cause dermititis, and prolonged exposure can cause nausea, dizziness and headache. (USCG, 1999)

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb
Industry UsesOther
Household ProductsInformation on 2 consumer products that contain Isodurene in the following categories is provided:
General Manufacturing Information · 2건

Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing)

Benzene, 1,2,3,5-tetramethyl-: ACTIVE

공급사58 곳

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

Liquid

Pale yellow to white liquid with a camphor-like odor; [CAMEO]

Hazards Summary
A skin, eye, and respiratory tract irritant; [CAMEO]
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1건

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as 1,2,3,5-TETRAMETHYLBENZENE, 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.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (23.1%)
Lower Explosive Limit (LEL)Data not available. (USCG, 1999)
Upper Explosive Limit (UEL)Data not available. (USCG, 1999)

안전 및 보호

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidINHALATION: Call for medical aid. Remove the victim to fresh air. If breathing has stopped give artificial respiration. If breathing is difficult, give oxygen.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC) · 3건

15 [mg/m3]

170 [mg/m3]

1000 [mg/m3]

Personal Protective Equipment (PPE)Wear self contained breathing apparatus, rubber boots and heavy rubber gloves. (USCG, 1999)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
USGS Health-Based Screening Levels for Evaluating Water-Quality · 3건

1,2,3,5-Tetramethylbenzene

Volatile Organic Compound (VOC)

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

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