基本情報
- CAS
5718-75-2- 標準SMILES
CC1CCC2CC1SC2(C)C- InChIKey
FAXNZPOZWCWYBD-UHFFFAOYSA-N- 分子式
- C10H18S
- 平均分子量
- 170.32 g/mol
- 単同位体質量
- 170.11292175
名称と識別子
- 優先名称
- 2,8-Epithio-cis-p-menthane, (+-)-
- IUPAC
- 4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane
- 現地名
- 4,7,7-トリメチル-6-チアビシクロ[3.2.1]オクタン
- 英語名
- 2,8-EPITHIO-P-MENTHANE
- 分子式
- C10H18S
- 分子量
- 170.31
名称と別名
2,8-Epithio-p-menthane4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane68398-18-5grapefruit menthaneEINECS 227-219-64,7,7-Trimethyl-6-thiabicyclo(3.2.1)octaneZESTORIALZESTORILEMJ1A8616FEINECS 269-970-26-Thiabicyclo(3.2.1)octane, 4,7,7-trimethyl-6-Thiabicyclo(3.2.1)octane, 4,7,7-trimethyl-, endo-
名称をさらに表示
2,8-エピチオ-p-メンタン4,7,7-トリメチル-6-チアビシクロ[3.2.1]オクタン2，8-EPITHIO-P-METHANE2,8EPITHIO-CIS-PARAMENTHANE2,8-EPITHIO-P-MENTHANE USP/EP/BP4,7,7-trimethyl-6-thiabicyclo[3.2.1]octan6-Thiabicyclo3.2.1octane, 4,7,7-trimethyl-
exo-(-)-4,7,7-Trimethyl-6-thiabicyclo(3.2.1)octane84415-79-2DTXSID1052408FEMA NO. 41086-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-, endo-Exo-(-)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octaneRefChem:446516
データベース識別子
- CAS
5718-75-2、68398-18-5、84415-79-2- PubChem CID
- 109332
- DTXSID
DTXSID1052408- UNII
- EMJ1A8616F
- EC Number
- 227-219-6、269-970-2
- Nikkaji
- J349.388A
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 25.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 162
実験および物理化学的性質
FragrancesFragrance Ingredient (4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.997-1.001
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point80 °C (0.9 mm Hg)
Refractive Index1.513-1.521
Physical DescriptionColourless to pale yellow clear liquid; Earthy, citrus aroma with menthol-like undertones
物理化学的性質
- 沸点
- 222.7 · 222.7±9.0 °C(Predicted)
- 比重(密度)
- 0.941 · 0.941±0.06 g/cm3(Predicted)
- FEMA
- 4108 · 4108 | (+/-)-2,8-EPITHIO-CIS-P-MENTHANE
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 8.7% (122 of 1410) of reports.
H412 (91.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1410 reports by companies from 5 notifications to the ECHA C&L Inventory.
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-
Chemical: 6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-, endo-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
6-Thiabicyclo3.2.1octane, 4,7,7-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Aquatic Chronic 3 (91.2%)
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-: ACTIVE
サプライヤー4 社
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
BOC Sciences[email protected]
BOC Sciences+1-631-485-4226 · [email protected]
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