기본 정보
- CAS
68527-77-5- 표준 SMILES
CC1=CC(C)C(CO)C(C)C1- InChIKey
DMXUBGVVJLVCPB-UHFFFAOYSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.13576519
이름 및 식별자
- 우선 이름
- Isocyclogeraniol
- IUPAC
- (2,4,6-trimethylcyclohex-3-en-1-yl)methanol
- 현지명
- 아이소사이클로제라니올
- 영어명
- Isocyclogeraniol
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
Isocyclogeraniol3-Cyclohexene-1-methanol, 2,4,6-trimethyl-2,4,6-trimethyl-3-cyclohexene-1-methanolUNII-1MQV9RE56X1MQV9RE56X2,4,6-Trimethylcyclohex-3-ene-1-methanolEINECS 271-282-2DTXSID50524142,4,6-trimethyl-3-cyclohexenylmethanolRefChem:149239DTXCID703098768527-77-5
이름 더 보기
아이소사이클로제라니올아이소사이클로제라니올2,4,6-트라이메틸-3-사이클로헥센-1-메탄올이소사이클로게라니올TRIMETHYL CYCLOHEXENE METHANOL2,4,6-trimethyl-3-cyclohexene-1-methano2,4,6-Trimethyl-4-cyclohexen-1-ylmethanol3-Cyclohexene-1-methanol,2,4,6-trimethyl-
(2,4,6-trimethylcyclohex-3-en-1-yl)methanolSCHEMBL295784CHEMBL4441073DMXUBGVVJLVCPB-UHFFFAOYSA-NAKOS006241776NS00012696Q27252620
데이터베이스 식별자
- CAS
68527-77-5- PubChem CID
- 109458
- DTXSID
DTXSID5052414- ChEMBL
CHEMBL4441073- UNII
- 1MQV9RE56X
- EC Number
- 271-282-2
- Nikkaji
- J309.158I
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 160
실험 및 물리화학적 성질
Fragrances
Fragrance substance (Isocyclogeraniol) -> IFRA amendment 49
Fragrance Ingredient (2,4,6-Trimethyl-3-cyclohexene-1-methanol) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 210 ℃ · 210℃
- 밀도
- 0.874 · 0.874
- 증기압
- 2.4 Pa · 2.4Pa at 24℃
- 인화점
- 78 ℃ · 78℃
- 냄새
- 100 %에서 · 100.00%에서. 향신료 꽃 무늬의 카네이션 풀의 녹색 우디
- 냄새 유형
- 매운
- 수용성
- 656.2 mg/L · 656.2mg/L at 24℃
- 화장품 원료 기능
- 향수
- LogP
- 3.6 at · 3.6 at 25℃
- EPA
- 3 · 3-Cyclohexene-1-methanol, 2,4,6-trimethyl- (68527-77-5)
안전 및 규제
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 1593 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 3-Cyclohexene-1-methanol, 2,4,6-trimethyl-
REACH registered substance: 2,4,6-trimethylcyclohex-3-ene-1-methanol (EC: 271-282-2)
3-Cyclohexene-1-methanol, 2,4,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - 3-Cyclohexene-1-methanol, 2,4,6-trimethyl- (isocyclogeraniol)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
Isocyclogeraniol
3-Cyclohexene-1-methanol, 2,4,6-trimethyl-; 2,4,6-Trimethyl-3-cyclohexene-1-methanol
IFRA_STD_047.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 Information3-Cyclohexene-1-methanol, 2,4,6-trimethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.28999999999999998 [Products applied to the lips]
0.087 [Products applied to the axillae]
1.8 [Products applied to the face/body using fingertips]
1.6 [Products related to fine fragrances]
0.41 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.41 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
공급사12 곳
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
杭州贵驰科技有限公司(+86 571) 2818 0696
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
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