基本情報
- CAS
13429-57-7- 標準SMILES
CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2- InChIKey
DTGKSKDOIYIVQL-QXFUBDJGSA-N- 分子式
- C10H18O
- 平均分子量
- 154.25 g/mol
概要
(-)-borneol is a borneol. It is an enantiomer of a (+)-borneol.
名称と識別子
- 優先名称
- Borneol, (-)-
- IUPAC
- (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
- 英語名
- endo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol, 97%
- 分子式
- C10H18O
- 分子量
- 154.24932
名称と別名
(-)-Borneol464-45-9L-BorneolLinderolNGAI camphor(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olBorneol, (-)-l-2-Camphanol1-Bornyl alcoholl-2-Bornanol(1S,2R,4S)-borneolUNII-1Y84986J9Q
名称をさらに表示
endo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol, 97%
BORNEOL L-FORMBORNEOL, L-EINECS 207-353-1Borneol, (1S,2R,4S)-(-)-1Y84986J9QCHEBI:15394(1S,2R,4S)-(-)-BorneolFEMA NO. 2157, (-)-
データベース識別子
- CAS
13429-57-7- ChEMBL
CHEMBL3186705- ChEBI
CHEBI:15394- UNII
- 1Y84986J9Q
- EC Number
- 207-353-1
- Nikkaji
- J9.306H
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 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
- 185
実験および物理化学的性質
Chemical ClassesBiological Agents -> Plant Oils and Extracts
FragrancesFragrance Ingredient (l-Borneol) -> IFRA transparency List
LogP3.010
Boiling Point210.00 to 212.00 °C. @ 779.00 mm Hg
Melting Point210 - 215 °C
Physical Description
Liquid; CBI
Solid; [Merck Index] Chunks or powder; [Alfa Aesar MSDS]
Solid
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 0.4% (1 of 263) of reports.
Danger
H228 (99.6%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P370+P378, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 263 reports by companies from 8 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: Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S-endo)-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2R,4S)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2R,4S)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22570
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2R,4S)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards Summary
A mild to moderate skin irritant; Causes other degenerative changes to brain and coverings in acute oral studies of rats; [RTECS] May cause nausea, vomiting, dizziness, and convulsions; [Merck Index] An irritant; [Alfa Aesar MSDS] See Borneol.
Hazard Classes and CategoriesFlam. Sol. 2 (99.6%)
毒性情報
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
UsesA natural oil in many plants; Used to make its esters; Also used in flavors and perfumes; [Merck Index]
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Household ProductsInformation on 9 consumer products that contain (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2R,4S)-: ACTIVE
サプライヤー1 社
MOLEKULA[email protected]
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