基本情報
- CAS
495-62-5- 標準SMILES
CC(C)=CCCC(C)=C1CC=C(C)CC1- InChIKey
XBGUIVFBMBVUEG-UHFFFAOYSA-N- 分子式
- C15H24
- 平均分子量
- 204.35 g/mol
- 単同位体質量
- 204.18780077
概要
gamma-bisabolene has been reported in Curcuma kwangsiensis, Juniperus rigida, and other organisms with data available.
名称と識別子
- 優先名称
- gamma-Bisabolene
- IUPAC
- 1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
- 現地名
- 6-(4-メチル-3-シクロヘキセニリデン)-2-メチル-2-ヘプテン
- 英語名
- Bisabolene
- 分子式
- C15H24
- 分子量
- 204.35
名称と別名
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
名称をさらに表示
4-(1,5-ジメチル-4-ヘキセニリデン)-1-メチルシクロヘキセンビサボレン4-(1,5-ジメチル-4-ヘキセニリデン)-1-メチル-1-シクロヘキセンγ-ビサボレン2,6,10-ビサボラトリエン6-(4-メチル-3-シクロヘキセニリデン)-2-メチル-2-ヘプテン1-メチル-4（2-メチル-6-ヘプテニリデン）シクロヘキセン-1ビスアボレン, 異性体混合物ビサボレン, 異性体混合物, IN ISOOCTANE (500ΜG/ML)(Z)-ガンマ-ビサボレン1-メチル-4-[(Z)-1,5-ジメチル-4-ヘキセニリデン]-1-シクロヘキセン1-メチル-4-(6-メチルヘプタ-5-エン-2-イリデン)シクロヘキサ-1-エン(4Z)-1-メチル-4-(6-メチルヘプタ-5-エン-2-イリデン)シクロヘキサ-1-エン(Z)-γ-ビサボレンFEMA 3331γ-Bisabolene (Mixture of Isomers) (Technical Grade)
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 296
実験および物理化学的性質
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
物理化学的性質
- 沸点
- 155 · 155-157 °C
- 比重(密度)
- 0.89 · 0.89
- 屈折率
- 1.494 · 1.4940
- FEMA
- 3331 · 3331 | BISABOLENE
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- tsca
- TSCA listed
- rtecs
- GW6060000
- 毒性
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1974).
- hs_code
- 2902.19.0050
化学と産業
用途と製造
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
応用分野
天然物の起源Reported 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.
使用It 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.
調製方法
製造方法Reported isolated from bisabol myrrh; also from nerolidol by dehydration (γ-form).
サプライヤー57 社
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]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…