기본 정보
- CAS
625-16-1- 표준 SMILES
CCC(C)(C)OC(C)=O- InChIKey
JCCIFDCPHCKATH-UHFFFAOYSA-N- 분자식
- C7H14O2
- 평균 분자량
- 130.18 g/mol
- 단동위원소 질량
- 130.09937969
개요
Tert-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999)
이름 및 식별자
- 우선 이름
- 2-Methyl-2-butanol acetate
- IUPAC
- 2-methylbutan-2-yl acetate
- 현지명
- 삼차-아밀 아세트산
- 영어명
- T-PENTYL ACETATE
- 분자식
- C7H14O2
- 분자량
- 130.18
이름 및 동의어
tert-Amyl acetate2-Butanol, 2-methyl-, acetate2-Methyl-2-butanol acetatetertAmyl acetatetertPentyl acetateRefChem:4751611,1Dimethylpropyl acetate2Butanol, 2methyl, acetate809-420-62-methylbutan-2-yl acetate625-16-1T-PENTYL ACETATE
이름 더 보기
삼차-아밀아세트산삼차-아밀아세트산(tert-AMYLACETATE)T-펜틸아세테이트TERT-AMYLACETATEtertiary amyl acetateCH3C(O)OC(CH3)2CH2CH31,1-DIMETHYLPROPYLACETATEAcetic acid tert-amyl ester
t-Pentylacetate1,1-Dimethylpropyl acetatetert-Pentyl Alcohol, acetatetert-Pentyl Acetateacetic acid tert-pentyl estert-amyl acetatetert-Amyl ethanoateSCHEMBL66104
데이터베이스 식별자
- CAS
625-16-1- PubChem CID
- 12238
- DTXSID
DTXSID80978091- EC Number
- 809-420-6
- Nikkaji
- J95.659G
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 105
실험 및 물리화학적 성질
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesDensity
Density0.874 at 66.2 °F (USCG, 1999) - Less dense than water; will float
Flash Point
79 °F (est) (USCG, 1999)
79 °F
Boiling Point256.5 °F at 760 mmHg (USCG, 1999)
Melting Pointgreater than -148 °F (USCG, 1999)
Vapor Pressure12.1 [mmHg]
Physical Description
Tert-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999)
Colorless to yellow liquid with a weak odor of bananas; [CAMEO]
Autoignition Temperature715 °F (USCG, 1999)
물리화학적 성질
- 녹는점
- -74.65 °C · -74.65°C (estimate)
- 끓는 점
- 123.5 °C · 123.5°C
- 밀도
- 0.8845 · 0.8845 (estimate)
- 굴절률
- 1.3995 · 1.3995
- 인화점
- 24 ℃ · 24℃ (tag closed test)
- Specific Gravity
- 0.873 · 0.873 (20/4℃)
- Henry's Law Constant
- 2.9 · 2.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- InChI=1S/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3
- InChIKey
- JCCIFDCPHCKATH-UHFFFAOYSA-N
- SMILES
- CC(OC(=O)C)(C)CC
- LogP
- 2.059 · 2.059 (est)
- EPA
- tert-Amyl acetate (625-16-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationThe 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 LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: When heated emits acrid fumes.
Health Hazards
INHALATION AND INGESTION: Irritates the mucous membrane, depresses the central nervous system and is narcotic. Damage to kidney, liver, and lung can occur. Ingestion may irritate gastro-intestinal tract. EYES: Irritation. SKIN: Irritation. (USCG, 1999)
Hazards Summary
A skin, eye, and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression; May cause damage to liver, kidneys, and lungs; [CAMEO] The pentyl acetates are sensory irritants in the work environment. At higher levels in animal experiments, they cause narcosis, hepatotoxicity, and developmental toxicity. [ACGIH]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile
TERT-AMYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsHighly flammable.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 3rd degree
Lower Explosive Limit (LEL)1 % (USCG, 1999)
Upper Explosive Limit (UEL)7.5 % (USCG, 1999)
안전 및 보호
Fire FightingFire Extinguishing Agents Not to Be Used: Water may be ineffective.
First AidCall a physician.
Exposure Control and Personal Protection50.0 [ppm]
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Threshold Limit Values (TLV)
50.0 [ppm]
100.0 [ppm]
Personal Protective Equipment (PPE)Rubber gloves, chemical goggles or face shield, and lab coat. Organic vapor chemical cartridge respirator for less than 1000 ppm; self-contained breathing apparatus for greater than 1000 ppm. (USCG, 1999)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
안전 데이터
- OEB
- A
- OEL
- TWA: 100.0 ppm; 525.0 mg/m3
- ridadr
- 1104
- 포장분류
- III
- 위험 등급
- 3.2
화학 및 산업
응용 분야
일반 설명Colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor.
제조 방법
생산 방법Producted from Dimethyl ethyl carbinol by esterification with acetic acid under azeotropic conditions, or with Acetic anhydride.
공급사7 곳
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
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