기본 정보
- CAS
7416-35-5- 표준 SMILES
CC=C(C)C1CCC(C)(C)O1- InChIKey
LPEYLSKLVYWOEQ-UHFFFAOYSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.13576519
개요
2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran has been reported in Citrus reticulata and Citrus deliciosa with data available.
이름 및 식별자
- 우선 이름
- 2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
- IUPAC
- 5-but-2-en-2-yl-2,2-dimethyloxolane
- 영어명
- Ocimene quintoxide
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
5-but-2-en-2-yl-2,2-dimethyloxolane2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuranRefChem:810687416-35-5Ocimene quintoxideSCHEMBL2008023NS000477572,2-Dimethyl-5-(1-methylpropenyl)-tetrahydrofuranFuran, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-FEMA 3665OCIMEN QUINTOXIDEOXIMENE QUINTOXIDE, TERPENE STANDARD
이름 더 보기
5-(But-2-en-2-yl)-2,2-dimethyltetrahydrofuran2,2-DIMETHYL-5-(1-METHYLPROPEN-1-YL)TETRAHYDROFURAN2,2-Dimethyl-5-(1-methylprop-1-enyl)tetrahydrofurantetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-fura
데이터베이스 식별자
- CAS
7416-35-5- PubChem CID
- 92002
- EC Number
- 231-028-3
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 168
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.858-0.865
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; Slightly soluble in water
Soluble (in ethanol)
Boiling Point65 °C (10 mm Hg)
Refractive Index1.446-1.451
Physical DescriptionColourless liquid; Citrus aroma
물리화학적 성질
- 끓는 점
- 61 °C · 61 °C(Press: 9 Torr)
- 밀도
- 0.865 g/mL · 0.865 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.4460(lit.)
- FEMA
- 3665 · 3665 | 2,2-DIMETHYL-5-(1-METHYLPROPEN-1-YL)TETRAHYDROFURAN
- 인화점
- 48 °C · 48 °C
- 냄새
- 1 % · 디프로필렌 글리콜 중 1.00%. 달콤한 감귤류 허브 녹색 셀러리 매콤한 민트향 우디
- 냄새 유형
- 감귤류
- JECFA Number
- 1452 · 1452
- LogP
- 3.1 · 3.10
화학적 성질
2,2-Dimethyl-5-(1-methylpropen-1-yl)-tetrahydrofuran has a citrus odor
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 1443 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Furan, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Furan, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10
- safety_code
- 16
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
응용 분야
출처Reported found in muscat grape, lime oil, papaya, white wine, passion fruit, caja fruit (Spondias lutea L.) and cherimoya (Annona cheremolia Mill.) and distilled lime wine
용도Ocimene Quintoxide is a citrus flavoring material.
공급사5 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
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