サビネン
Sabinene
基本情報
- CAS
3387-41-5- 標準SMILES
C=C1CCC2(C(C)C)CC12- InChIKey
NDVASEGYNIMXJL-UHFFFAOYSA-N- 分子式
- C10H16
- 平均分子量
- 136.23 g/mol
- 単同位体質量
- 136.12520051
概要
Sabinene is a thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. It has a role as a plant metabolite.
名称と識別子
- 優先名称
- Sabinene
- IUPAC
- 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
- 現地名
- サビネン
- 英語名
- Sabinene
- 分子式
- C10H16
- 分子量
- 136.23
名称と別名
SABINENE3387-41-5SabinenBicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexaneTHUJENE, 4(10)-DTXSID70863164CHEBI:500274-methylidene-1-propan-2-ylbicyclo[3.1.0]hexaneNSC-407278Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)-4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexane
名称をさらに表示
1-イソプロピル-4-メチレンビシクロ[3.1.0]ヘキサンツジャ-4(10)-エン4(10)-ツジェン2-メチレン-5-イソプロピルビシクロ[3.1.0]ヘキサンサビネン4-メチリデン-1-(プロパン-2-イル)ビシクロ[3.1.0]ヘキサンSabenenebicyclo[3.1.0]hexane,4-methylene-1-(1-methylethyl)-4-methylene-1-(1-methylethyl)-bicyclo[3.1.0]hexaneSabinene (beta-Thujene)4-thujeneSabinene-RM
1-ISOPROPYL-4-METHYLENEBICYCLO(3.1.0)HEXANERefChem:55455DTXCID301341343222-212-47D1TL44GPC4(10)-Thujene4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexaneCitrus
データベース識別子
- CAS
3387-41-5- PubChem CID
- 18818
- DTXSID
DTXSID70863164- ChEMBL
CHEMBL452687- ChEBI
CHEBI:50027- EC Number
- 222-212-4
- Nikkaji
- J7.728C
物性
構造計算による物性
- XLogP
- 3.1
- 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
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 178
実験および物理化学的性質
FragrancesFragrance Ingredient (Sabinene) -> IFRA transparency List
LogP4.63
Flavoring AgentsEU Flavoring substances
物理化学的性質
- 沸点
- 163.7 °C · 163.7°C
- 比重(密度)
- 0.842 g/mL · 0.842 g/mL at 25 °C
- 蒸気圧
- 87 hPa · 87hPa at 20℃
- 屈折率
- 1.486 · 1.4860 (estimate)
- 闪点
- 37 ℃ · 37℃
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.33 mg/ml
- 外見
- A neat oil
- 色
- Colorless to light yellow
- 臭い (Odor)
- 10 %。ウッディテルペンシトラスパインスパイス · ジプロピレングリコール中10.00%。ウッディテルペンシトラスパインスパイス
- においのタイプ
- 木質の
- 水溶解度
- 5.03 mg/L · 5.03mg/L at 20℃
- Henry's Law Constant
- 1.5 · 1.5×10-4 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
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
Danger
H226 (83.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P331, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 362 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26637
Bicyclo3.1.0hexane, 4-methylene-1-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (83.4%)
安全データ
- wgk
- 3
- ridadr
- 1993
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3.2
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
Household ProductsInformation on 1 consumer products that contain Sabinene in the following categories is provided:
Use ClassificationFragrance Ingredients
応用分野
解説サビネン．d-サビネンは精油成分の一つ．杜(と)松油やピレア油中などに存在する．沸点163～165 ℃．[α]D＋95°(クロロホルム)．d200.842．nD201.4678．果実様の香りをもつ．花精油の合成などに用いられる．
説明Sabinene is a bicyclic monoterpene found in a variety of plants, including Cannabis, that has antifungal and anti-inflammatory properties. It inhibits the growth of various fungi in vitro, including several species of Candida, Trichophyton, and Aspergillus (MICs = 0.16-5 μl/ml). Sabinene (0.32 μl/ml) prevents increases in nitrite production in RAW 264.7 macrophages stimulated by LPS and IFN-γ. It is cytotoxic to RAW 264.7 macrophages and HaCat keratinocytes when used at a concentration of 1.25 μl/ml. Formulations containing sabinene have been used as perfume additives.
補足説明
定義ChEBI: A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species.
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