이소옥틸아세테이트
Acetic acid, isooctyl ester
기본 정보
- CAS
31565-19-2- 표준 SMILES
CC(=O)OCCCCCC(C)C- InChIKey
DICUPLXUNISGAQ-UHFFFAOYSA-N- 분자식
- C10H20O2
- 평균 분자량
- 172.26 g/mol
- 단동위원소 질량
- 172.14632988
개요
Isooctyl acetate appears as a clear colorless liquid with a sweet ester odor. Less dense than water. Vapors heavier than air. Eye contact may cause irritation. Frequent or prolonged skin contact may irritate and cause dermatitis. Vapors irritate the eyes and respiratory tract and may cause headaches and dizziness, are anesthetic and may have other central nervous system effects. Vapors may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system may cause bronchopneumonia or pulmonary edema.
이름 및 식별자
- 우선 이름
- Acetic acid, isooctyl ester
- IUPAC
- 6-methylheptyl acetate
- 현지명
- 이소옥틸아세테이트
- 영어명
- Isooctyl acetate
- 분자식
- C10H20O2
- 분자량
- 172.27
이름 및 동의어
Isooctyl acetate6-methylheptyl acetateAcetic acid, isooctyl esterIsooctanol, acetate1-Heptanol, 6-methyl-, 1-acetate9Y25SYG8D5EINECS 250-701-2DTXSID5067635ISOOCTYL ALCOHOL, ACETATE36097-34-4RefChem:552274DTXCID5038385
이름 더 보기
이소옥틸아세테이트Isooctyl acetate USP/EP/BPAcetic acid isooctyl ester
31565-19-2Acetic acid, isooctylesteri-OctylacetatUNII-9Y25SYG8D5SCHEMBL333496SCHEMBL6463641CHEBI:179546AKOS006275655
데이터베이스 식별자
- CAS
31565-19-2、36097-34-4- PubChem CID
- 169321
- DTXSID
DTXSID5067635- ChEBI
CHEBI:179546- UNII
- 9Y25SYG8D5
- EC Number
- 250-701-2
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 119
실험 및 물리화학적 성질
Physical Description
Isooctyl acetate appears as a clear colorless liquid with a sweet ester odor. Less dense than water. Vapors heavier than air. Eye contact may cause irritation. Frequent or prolonged skin contact may irritate and cause dermatitis. Vapors irritate the eyes and respiratory tract and may cause headaches and dizziness, are anesthetic and may have other central nervous system effects. Vapors may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system may cause bronchopneumonia or pulmonary edema.
물리화학적 성질
- 녹는점
- -65.75 °C · -65.75°C (estimate)
- 끓는 점
- 202.6 °C · 202.6°C (estimate)
- 밀도
- 0.8771 · 0.8771 (estimate)
- 증기압
- 7.033 hPa · 7.033hPa at 37.778℃
- 굴절률
- 1.4063 · 1.4063 (estimate)
- 물리적 상태
- 액체
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 에스터리 과일향
- 냄새 유형
- 과일 같은
- LogP
- 5.7 at · 5.7 at 40℃ and pH5.4
- EPA
- Acetic acid, isooctyl ester (31565-19-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 99.5% (195 of 196) of all reports.
Not Classified
Aggregated GHS information provided per 196 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Isooctanol, acetate
REACH registered substance: Isooctyl acetate (EC: 250-701-2)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
ISOOCTYL 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 ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetic acid, isooctyl ester: ACTIVE
응용 분야
일반 설명A clear colorless liquid with a sweet ester odor. Flash point 171°F. Less dense than water. Vapors heavier than air. Eye contact may cause irritation. Frequent or prolonged skin contact may irritate and cause dermatitis. Vapors irritate the eyes and respiratory tract and may cause headaches and dizziness, are anesthetic and may have other central nervous system effects. Vapors may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system may cause bronchopneumonia or pulmonary edema.
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