데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
23726-94-5- 표준 SMILES
C/C=C/C(=O)C1C(C)=CCCC1(C)C- InChIKey
CRIGTVCBMUKRSL-FNORWQNLSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
- 단동위원소 질량
- 192.15141526
개요
1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone is an enone with a trimethylcyclohexenyl substituent at C-1. It has a role as a fragrance and an allergen.
이름 및 식별자
- 우선 이름
- (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
- IUPAC
- (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
- 영어명
- (Z)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
- 분자식
- C13H20O
- 분자량
- 192.3
이름 및 동의어
24720-09-0(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one(+/-)-alpha-DAMASCONE1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE57549-92-5MFCD00673214(2E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one(2E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-trans-.alpha.-Damascone1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
이름 더 보기
(Z)-alpha-damasconeCIS-ALPHA-DAMASCONEMethyl Turkic Ketonecis-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one(Z)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one(Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-cis-2-Buten-1-one1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-2-Buten-1-one
(E)-.alpha.-Damascone(e)-alpha-damasconeMDD00FOW8JCHEBI:53220trans-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enonetrans-2,6,6-trimethyl-1-crotonoyl-2-cyclohexene1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-trans-2-Buten-1-one
물성
구조 계산 물성보충 중
- XLogP
- 3.2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 282
실험 및 물리화학적 성질
CosmeticsMasking
Fragrances
Fragrance Ingredient ((E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one) -> IFRA transparency List
Fragrance Ingredient (cis-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.937-0.943
Solubility
Practically insoluble to insoluble
Soluble (in ethanol)
Boiling Point54 º (1 mm Hg)
Refractive Index1.493-1.499
Physical Description
CBI
Colourless to pale yellow liquid; Warm balsamic aroma
물리화학적 성질
- 끓는 점
- 267.1 · 267.1±29.0 °C(Predicted)
- 밀도
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 < 0.1% (1 of 1730) of reports.
Warning
H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1730 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-
Chemical: 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16823
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - Damascones: Human health tier II assessment
IMAP assessments - Damascones: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (99.7%)
Acute Tox. 4 (100%)
Skin sensitisation - category 1
Skin sensitisation - category 1
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Consumer UsesFragrance
Household ProductsInformation on 12 consumer products that contain (E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Masking
General Manufacturing Information
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)-: ACTIVE
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-: ACTIVE
상·하류 제품 정보
상류 원료
공급사2 곳
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
관련 반응
16건
화합물 노트
불러오는 중…