기본 정보
- CAS
1891096-88-0- 표준 SMILES
CC(C)C1=CCC(CCOC=O)=CC1- InChIKey
VQKSHQQZPYHYOS-UHFFFAOYSA-N- 분자식
- C12H18O2
- 평균 분자량
- 194.27 g/mol
- 단동위원소 질량
- 194.13067981
이름 및 식별자
- 우선 이름
- Menthadienyl formate
- IUPAC
- 2-(4-propan-2-ylcyclohexa-1,4-dien-1-yl)ethyl formate
- 현지명
- 아이소버가메이트;멘타다이엔-7-메틸포메이트
- 영어명
- 4-(isopropyl)cyclohexadiene-1-ethyl formate
- 분자식
- C12H18O2
- 분자량
- 194.27012
이름 및 동의어
IsobergamateMenthadienyl formateMenthadienyl formiateMenthadiene-7-methyl formate4-(Isopropyl)cyclohexadiene-1-ethyl formate2-(4-Isopropylcyclohexadienyl)ethyl formateEINECS 272-066-0Formic acid, (menthadien-7-methanyl) ester4-(1-Methylethyl)cyclohexadiene-1-ethyl formate4-(1-Methylethyl)cyclohexadiene-1-ethanol formateCyclohexadieneethanol, 4-(1-methylethyl)-, formateCyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate
이름 더 보기
아이소버가메이트멘타다이엔-7-메틸포메이트ISOBERGAMIATMENTHADIENYLFORMATEMENTHADIENE-7-METHYLFORMATE4-(Isopropyl)cyclohexadien-1-ethylformiat(2-[4-(PROPAN-2-YL)CYCLOHEXA-1,3-DIEN-1-YL]ETHYL) FORMATE
1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, 1-formateRefChem:810955272-066-068683-20-51891096-88-02-(4-Isopropylcyclohexa-1,4-dien-1-yl)ethyl formate2-[4-(propan-2-yl)cyclohexa-1,4-dien-1-yl]ethyl formate
데이터베이스 식별자
- CAS
1891096-88-0、68683-20-5- PubChem CID
- 111516
- DTXSID
DTXSID101019291- EC Number
- 272-066-0
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 249
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Menthadiene-7-methyl formate) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 270.73 °C · 270.73°C (rough estimate)
- 밀도
- 1.0086 · 1.0086 (rough estimate)
- 굴절률
- 1.475 · 1.4750 (estimate)
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 꽃무늬 과일향 허브 민트티
- 냄새 유형
- 꽃향기
- 화장품 원료 기능
- 향수
- LogP
- 3.469 · 3.469 (est)
- EPA
- 1 · 1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate (68683-20-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 265 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate
1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
Menthadiene-7-methyl formate
Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate; Isobergamate; 4-(Isopropyl)cyclohexadiene-1-ethyl formate; 2-(4-Isopropylcyclohexadienyl)ethyl formate; Menthadienyl formate; 4-(1-Methylethyl)cyclohexadiene-1-ethyl formate
IFRA_STD_053.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing Information1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, 1-formate: ACTIVE
Restriction Limits in the Finished Product (%)
0.077 [Products applied to the lips]
0.023 [Products applied to the axillae]
0.46 [Products applied to the face/body using fingertips]
0.43 [Products related to fine fragrances]
0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
공급사3 곳
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
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