CAS 25312-34-9 alpha-IONOL (HCID 5363817)

이름 및 식별자

우선 이름: alpha-IONOL
IUPAC: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
현지명: 알파-요놀
영어명: α-Ionol
분자식: C13H22O
분자량: 194.31

이름 및 동의어

alpha-Ionol25312-34-9(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-olalpha-lonollatilureFEMA No. 3624.alpha.-IonolIonol, alpha-4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-ol4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-BRN 2327829

이름 더 보기

알파-요놀FEMA 3624α-IonolIONOL, ALPHAα-Ionol, CAS 25312-34-9α-Ionol (Technical Grade)

472-78-6EINECS 246-815-74QI2W5Y52KAI3-36071EINECS 207-455-6IONOL, .ALPHA.-.ALPHA.-IONOL [FHFI]3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

데이터베이스 식별자

CAS: 25312-34-9、472-78-6
PubChem CID: 5363817
DTXSID: DTXSID60885294
ChEMBL: CHEMBL4445039
ChEBI: CHEBI:191484
UNII: 4QI2W5Y52K
EC Number: 207-455-6、246-815-7
Nikkaji: J1.281.530A、J181.800G

물성

구조 계산 물성

XLogP: 3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 248

실험 및 물리화학적 성질

Density0.917-0.924

Solubility(in ethanol)

Boiling Point · 2건

127.00 °C. @ 15.00 mm Hg

127 °C (15 mm Hg)

Refractive Index1.488-1.492

Physical Descriptioncolourless liquid with a sweeter odour of ionones

Kovats Retention Index · 2건

1376；1387；1392；1392

1923；1868；1902；1904；1886；1888

물리화학적 성질

끓는 점: 127 °C15 · 127 °C15 mm Hg(lit.)
밀도: 0.918 g/mL · 0.918 g/mL at 20 °C(lit.)
FEMA: 3624 · 3624 | ALPHA-IONOL
굴절률: 20 · n20/D 1.491
인화점: 93.4 °C · 93.4 °C
저장 조건: Refrigerator, under inert atmosphere
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 14.4 · 14.40±0.20(Predicted)
색상: 무색
냄새: 100 %에서 · 100.00%에서. 아이오노네 트로피컬 스위트 플로럴 바이올렛 우디
냄새 유형: 꽃향기
JECFA Number: 391 · 391
BRN: 2327829 · 2327829
화장품 원료 기능: 향수
InChI: 1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+
InChIKey: PWDOJWCZWKWKSE-BQYQJAHWSA-N
SMILES: CC(O)\C=C\C1C(C)=CCCC1(C)C
LogP: 4.31 · 4.31
EPA: 3 · 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)- (25312-34-9)

화학적 성질

α-Ionol has a flavor of ionone, but softer and sweeter.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (259 of 259) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 259 of 259 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 259 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 259 of 259 reports by companies.；There are 0 notifications provided by 0 of 259 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

Chemical: 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2건

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesNot Classified

규제 정보

Regulatory Information · 4건

Chemical: 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

Chemical: 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: EM9630050
safety_code: 23-24/25
F 고인화성물질: 10-23
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsExtracellular；Membrane

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-: INACTIVE

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-: ACTIVE

응용 분야 · 3건

개요α-Ionol has the flavor of ionone, but softer and sweeter.

출처Reported found in grape, raspberry and raspberry brandy

용도α-Ionol is an intermediate in synthesizing Tabanone (T003450), found in oils of Trifolium pratense L. and is a potential natural antioxidant.

공급사41 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

화합물 노트

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알파-요놀

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