기본 정보
- CAS
495-62-5- 표준 SMILES
CC(C)=CCCC(C)=C1CC=C(C)CC1- InChIKey
XBGUIVFBMBVUEG-UHFFFAOYSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
- 단동위원소 질량
- 204.18780077
개요
gamma-bisabolene has been reported in Curcuma kwangsiensis, Juniperus rigida, and other organisms with data available.
이름 및 식별자
- 우선 이름
- gamma-Bisabolene
- IUPAC
- 1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
- 영어명
- Bisabolene
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
Bisabolene495-62-5CYCLOHEXENE, 4-(1,5-DIMETHYL-4-HEXENYLIDENE)-1-METHYL-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexeneCHEBI:49237Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-E6941S3U3QRefChem:1978602-Heptene, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-CHEBI:49235207-805-81-Methyl-4-(1,5-dimethyl-4-hexenylidene)-1-cyclohexene
이름 더 보기
FEMA 3331γ-Bisabolene (Mixture of Isomers) (Technical Grade)γ-Bisabolene (Mixture of Isomers) (Technical Grade)(Z)-γ-bisabolene(Z)-gamma-bisabolenecis-gamma-bisaboleneBISABOLENE USP/EP/BP
2-Methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-2-heptenegamma-BisaboleneLimene4-(1,5-Dimethyl-4-hexen-1-ylidene)-1-methylcyclohexene1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-enegamma Bisaboleneorb1705442SCHEMBL1305371
데이터베이스 식별자
- CAS
495-62-5- PubChem CID
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 296
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Bisabolene) -> IFRA transparency List
Food AdditivesANTIMICROBIAL AGENT, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.850-0.858
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Insoluble (in ethanol)
Boiling Point262 °C
Refractive Index1.493-1.497
Physical DescriptionColourless slightly viscous oil; pleasant, warm sweet-spicy-balsamic aroma
물리화학적 성질
- 끓는 점
- 155 · 155-157 °C
- 밀도
- 0.89 · 0.89
- 굴절률
- 1.494 · 1.4940
- FEMA
- 3331 · 3331 | BISABOLENE
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 1718) of reports.
Danger
H304 (99.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P272, P280, P301+P316, P302+P352, P321, P331, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1718 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAsp. Tox. 1 (99.8%)
안전 데이터
- tsca
- TSCA listed
- rtecs
- GW6060000
- 독성
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1974).
- HS 번호
- 2902.19.0050
- 기존화학 물질
- KE-24382
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationCyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-: ACTIVE
응용 분야
출처Reported found in bisabol myrrh, bergamot oil and essential oils of Orthodon asaroniferum, O. methylisoeugenoliferum, O. tenuicaule, Citrus medica var. acida (C. aurantifolia), Cinnomomum kanahirai; Citrus limonia form California; Illicium verum; French lavender (Lavendula vera). Also found in ginger and carrot.
용도It finds use in artificial oil of bergamot, myrrh and lemon, and is an excellent fixative for neroli bases. It performs well in soap and acts as a stable fixative.
제조 방법
Reported isolated from bisabol myrrh; also from nerolidol by dehydration (γ-form).
공급사57 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
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