기본 정보
- CAS
37677-14-8- 표준 SMILES
CC(C)=CCCC1=CCC(C=O)CC1- InChIKey
MQBIZQLCHSZBOI-UHFFFAOYSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
- 단동위원소 질량
- 192.15141526
개요
4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde is a monoterpenoid.
이름 및 식별자
- 우선 이름
- 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
- IUPAC
- 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
- 현지명
- 4-(4-메틸-3-펜텐-1-일)-3-사이클로헥센-1-카복살데이히드
- 영어명
- MYRAC ALDEHYDE
- 분자식
- C13H20O
- 분자량
- 192.3
이름 및 동의어
Myrac aldehyde37677-14-84-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-para-Myrac aldehydeIsohexenyl cyclohexenyl carboxaldehyde1-Formyl-4-isohexenyl-4-cyclohexeneEINECS 253-617-41-Formyl-4-ixohexenyl-4-cyclohexene4-(4-Methyl-3-penten-1-yl)-3-cyclohexen-1-carboxaldehyde4-(4-Methyl-3-penten-1-yl)-3-cyclohexene-1-carboxaldehydeDTXSID4052051
이름 더 보기
4-(4-메틸-3-펜텐-1-일)-3-사이클로헥센-1-카복살데이히드MYRALDENEMyracEMPETAL4-(4-Methyl-3-pentenyl)cyclohex-3-en-1-carbaldehydempetaalpara-myracaldehydeCitrus cyanaldehydeMYRAC ALDEHYDE USP/EP/BPMYRAC AMYRAC ALDEHYDELDEHYDEISOHEXENYL TETRAHYDRO BENZALDEHYDE
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-4-(4-Methylpent-3-enyl)cyclohex-3-ene-1-carboxaldehyde3-Cyclohexene-1-carboxaldehyde, 4-(5-methyl-3-penten-1-yl)-RefChem:500739DTXCID5030618253-617-44-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
데이터베이스 식별자
- CAS
37677-14-8- PubChem CID
- 93199
- DTXSID
DTXSID4052051- ChEBI
CHEBI:192311- EC Number
- 253-617-4
- Nikkaji
- J70.180G
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 244
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Isohexenyl cyclohexenyl carboxaldehyde) -> IFRA transparency List
LogP4.700
Boiling Point228.00 °C. @ 760.00 mm Hg
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 108 °C · 108 °C(Press: 1.6 Torr)
- 밀도
- 0.933 g/cm3 · 0.933 g/cm3
- 인화점
- 93.3 ° · >93.3°
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 색상
- 무색 유성 액체
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 감귤류 기름기 많은 알데히드 꽃 해양
- 냄새 유형
- 알데히드계
- 화장품 원료 기능
- 향수
- LogP
- 4.7 · 4.700
- NIST
- 3 · 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-(37677-14-8)
- EPA
- 3 · 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)- (37677-14-8)
화학적 성질
MYRAC ALDEHYDE is prepared, together with its 3-isomer, by a Diels–Alder reaction ofmyrcene and acrolein.Themixture, d20 4 0.927–0.935, n20 D 1.488–1.492, has a fresh, fruity, slightly citrus-like odor and is used to perfume household products.
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 0.2% (3 of 1360) of reports.
Warning
H317 (74.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1360 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)- 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)
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1B (74.9%)
안전 데이터
- tsca
- TSCA listed
- ridadr
- UN3082
- 독성
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg
- 위험 등급
- 9
- 기존화학 물질
- KE-24772
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 116,569 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 9 consumer products that contain Isohexenyl Cyclopentenyl Carbaldehyde in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature
제조 방법
From myrcene and acrolein (Arctander, 1969).
공급사100 곳
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广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
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