기본 정보
- CAS
68345-22-2- 표준 SMILES
CC(C)COC(Cc1ccccc1)OCC(C)C- InChIKey
IORFKGJOBOCHPX-UHFFFAOYSA-N- 분자식
- C16H26O2
- 평균 분자량
- 250.38 g/mol
- 단동위원소 질량
- 250.19328007
개요
[2,2-Bis(2-methylpropoxy)ethyl]benzene is a member of benzenes.
이름 및 식별자
- 우선 이름
- Phenyl acetaldehyde diisobutyl acetal
- IUPAC
- 2,2-bis(2-methylpropoxy)ethylbenzene
- 영어명
- FEMA 3384
- 분자식
- C16H26O2
- 분자량
- 250.38
이름 및 동의어
68345-22-2[2,2-bis(2-methylpropoxy)ethyl]benzenePhenylacetaldehyde diisobutyl acetalphenyl acetaldehyde diisobutyl acetal1,1-Diisobutoxy-2-phenylethaneFEMA No. 3384(2,2-Bis(2-methylpropoxy)ethyl)benzenePhenylacetaldehyde, diisobutyl acetalM7DD3LIZ6UEINECS 269-851-5Benzene, (2,2-bis(2-methylpropoxy)ethyl)-DTXSID2071441
이름 더 보기
FEMA 3384[2,2-bis(2-methylpropoxy)ethyl]-benzen[2,2-bis(2-methylpropoxy)ethyl]-Benzene[2,2-Bis[(2-methylpropyl)oxy]ethyl]benzene
Benzene, [2,2-bis(2-methylpropoxy)ethyl]-PHENYLACETALDEHYDE DIISOBUTYL ACETAL [FHFI]RefChem:861573DTXCID4045896Benzene, 2,2-bis(2-methylpropoxy)ethyl-269-851-52,2-bis(2-methylpropoxy)ethylbenzene(2,2-diisobutoxyethyl)benzene
데이터베이스 식별자
- CAS
68345-22-2- PubChem CID
- 71544
- DTXSID
DTXSID2071441- ChEBI
CHEBI:174311- UNII
- M7DD3LIZ6U
- EC Number
- 269-851-5
- Nikkaji
- J349.362H
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 183
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.928-0.936
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point240 °C; 137-139 °C (4 mm Hg)
Refractive Index1.468-1.476
Physical DescriptionColourless liquid; sweet floral, delicate green odour
물리화학적 성질
- 끓는 점
- 301 ℃ · 301℃
- 밀도
- 0.933 · 0.933
- FEMA
- 3384 · 3384 | PHENYLACETALDEHYDE DIISOBUTYL ACETAL
- 인화점
- 93 ℃ · 93℃
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 녹색 꽃무늬 아몬드 장미 껍질
- 냄새 유형
- 꽃향기
- JECFA Number
- 1006 · 1006
- LogP
- 4.89 · 4.89
- EPA
- Phenylacetaldehyde diisobutyl acetal (68345-22-2)
화학적 성질
Phenylacetaldehyde diisobutyl acetal has a sweet, floral, delicate green odor.
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.
유해성 정보
Regulatory Information
Chemical: Benzene, [2,2-bis(2-methylpropoxy)ethyl]-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, 2,2-bis(2-methylpropoxy)ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzene, [2,2-bis(2-methylpropoxy)ethyl]-: ACTIVE
제조 방법
From benzyl magnesium chloride and butyl o-formate; also from phenyl acetaldehyde and butyl alcohol.
공급사12 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [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]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
天津丹骏国际贸易有限公司15822601686 · [email protected]
LYSCHEM International LLC13911018262 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
杭州艾可思医药科技有限公司+86-0571-89301730 +86-18337276608 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
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