기본 정보
- CAS
5421-00-1- 표준 SMILES
O=C(Cc1ccccc1)OCC1CCCO1- InChIKey
WFCXNQRMOLKRMG-UHFFFAOYSA-N- 분자식
- C13H16O3
- 평균 분자량
- 220.26 g/mol
- 단동위원소 질량
- 220.10994437
이름 및 식별자
- 우선 이름
- Benzeneacetic acid, (tetrahydro-2-furanyl)methyl ester
- IUPAC
- oxolan-2-ylmethyl 2-phenylacetate
- 현지명
- 테트라히드로푸르푸릴페닐아세테이트
- 영어명
- Tetrahydrofurfuryl phenylacetate
- 분자식
- C13H16O3
- 분자량
- 220.26
이름 및 동의어
5421-00-1(Tetrahydrofuryl)methyl phenylacetateBenzeneacetic acid, (tetrahydrofuranyl)methyl esterC9ALQ59UCQTetrahydrofuryl phenylacetateBenzeneacetic acid, (tetrahydro-2-furanyl)methyl esterNSC 6626NSC-6626EINECS 226-534-6AI3-22224DTXSID40863530(TETRAHYDRO-2-FURANYL)METHYL BENZENEACETATE
이름 더 보기
테트라히드로푸르푸릴페닐아세테이트Tetrahydrofurfuryl phenylacetatePhenylacetic acid (tetrahydrofuran-2-yl)methyl esterBenzeneacetic acid (tetrahydrofuran-2-yl)methyl ester(TETRAHYDRO-2-FURANYL)METHYL ESTER BENZENE ACETIC ACID
RefChem:562820DTXCID50812130Benzeneacetic acid, (tetrahydrofuranyl)methyl ester (9CI)226-534-6oxolan-2-ylmethyl 2-phenylacetatetetrahydrofuran-2-ylmethyl phenylacetateUNII-C9ALQ59UCQtetrahydrofurfuryl phenyl acetate
데이터베이스 식별자
- CAS
5421-00-1- PubChem CID
- 95395
- DTXSID
DTXSID40863530- UNII
- C9ALQ59UCQ
- EC Number
- 226-534-6
- Nikkaji
- J217.998I
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 221
실험 및 물리화학적 성질
Flavoring AgentsEU Flavoring substances
물리화학적 성질
- 끓는 점
- 331.1 · 331.1±17.0 °C(Predicted)
- 밀도
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- 용해도
- Almost insoluble in water, soluble in alcohol, and miscible with oils
- 물리적 상태
- Colorless, slightly viscous liquid.
- 냄새
- 100 %에서 · 100.00%에서. 초콜릿 꽃 꿀
- 냄새 유형
- 초콜릿
- LogP
- 1.984 · 1.984 (est)
- EPA
- Benzeneacetic acid, (tetrahydro-2-furanyl)methyl ester (5421-00-1)
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Danger
H360Df: May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Benzeneacetic acid, (tetrahydrofuranyl)methyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, (tetrahydro-2-furanyl)methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Esters of tetrahydrofurfuryl alcohol: Human health tier II assessment
Hazard Classes and Categories
Not Classified
Reproductive toxicity - category 1B
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzeneacetic acid, (tetrahydro-2-furanyl)methyl ester: ACTIVE
응용 분야
용도Tetrahydrofurfuryl phenylacetate is occasionally used in perfume compositions as a modifier in Oriental and heavy floral fragrance types. It gives interesting effects in Rose bases with heavy fruity notes, such as Ionones, Ethyl methyl phenyl glycidate, Oxyphenylon, Palatone, etc.
공급사12 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
天津丹骏国际贸易有限公司15822601686 · [email protected]
LYSCHEM International LLC13911018262 · [email protected]
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