基本情報
- 標準SMILES
CC1(O)CCC2CC1C2(C)C- InChIKey
YYWZKGZIIKPPJZ-UHFFFAOYSA-N- 分子式
- C10H18O
- 平均分子量
- 154.25 g/mol
- 単同位体質量
- 154.13576519
名称と識別子
- 優先名称
- 2-Pinanol
- IUPAC
- 2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
- 現地名
- 2,6,6-トリメチルビシクロ[3.1.1]ヘプタン-2-オール
- 英語名
- PINANOL 85
- 分子式
- C10H18O
- 分子量
- 154.25
名称と別名
2-PINANOL473-54-1Pinanol2,6,6-Trimethylbicyclo[3.1.1]heptan-2-ol5DZK63N3UUDTXSID5029180Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-2,6,6-Trimethylbicyclo(3.1.1)heptane-3-ol2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPTAN-2-OLRefChem:89121DTXCID509180207-466-6
名称をさらに表示
ピナン-2-オールピナノール2,6,6-トリメチルビシクロ[3.1.1]ヘプタン-2-オール2β,6,6-トリメチルビシクロ[3.1.1]ヘプタン-3α-オール(2R)-ピナン-3α-オール2-ピナノールピナン２オル2,7,7-トリメチルビシクロ[3.1.1]ヘプタン-2-オールTRANS-2-PINANOLPinan-2-olDL-pinan-3-ol(2R)-Pinane-3α-olcis+trans-2-pinanol2,6,6-trimethylnorpinan-2-ol2,6,6-trimethyl-bicyclo[3.1.1]heptan-2-o
PINANOL 85(E)-Pinene hydrate(E)-2-pinanol(E)-Pinan-2-olHSDB 5663EINECS 207-466-6.beta.-Pinene hydroxideUNII-Q3IVK90KUD
データベース識別子
- CAS
473-54-1、4948-29-2- PubChem CID
- 10128
- DTXSID
DTXSID5029180- EC Number
- 207-466-6
- Nikkaji
- J40.558B
物性
構造計算による物性
- XLogP
- 2.1
- 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
Vapor Pressure0.07 [mmHg]
Physical Description
CBI
Nearly white solid; mp = 22-24 deg C; Camphor-type odor; [MSDSonline]
Kovats Retention Index
1114；1118
1124；1145
物理化学的性質
- 融点
- 55 · 55 - 60°C
- 貯蔵温度
- Refrigerator, under inert atmosphere
- 溶解性
- クロロホルム（微量）、ジエチルエーテル（微量）、メタノール（微量）
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 化粧品成分の機能
- 香料
- LogP
- 2.65 · 2.650 (est)
- EPAの化学物質情報
- 2 · 2-Pinanol (473-54-1)
安全と法規制
GHS分類
GHS Classification
Danger
H302 (60.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (39.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (60.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (73%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-
Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl- 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)
Bicyclo3.1.1heptan-2-ol, 2,6,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-: Human health tier I assessment
Hazards SummaryEmergency treatment: Turpentine oil; [HSDB] A skin irritant; [MSDSonline] See Turpentine. See TERPENES.
Hazard Classes and CategoriesAcute Tox. 4 (60.7%)；Acute Tox. 3 (39.3%)；Acute Tox. 4 (60.7%)；Skin Irrit. 2 (73%)；Eye Irrit. 2 (100%)
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
法規制情報
Regulatory Information
Chemical: Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-
Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl- 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)
Bicyclo3.1.1heptan-2-ol, 2,6,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- tsca
- TSCA listed
- 有毒物質データの
- 473-54-1(Hazardous Substances Data)
化学と産業
薬理情報
Metabolism/MetabolitesA NUMBER OF TERPENOIDS WERE ORALLY ADMIN TO RABBITS, & THE METABOLITES WERE ISOLATED FROM URINE BY VARIOUS CHROMATOGRAPHIC METHODS. THE MAJOR METABOLITE OF PINANE WAS ALPHA-TERPINEOL & MINOR METABOLITES WERE PINAN-2-OL & PINAN-3-OL.
用途と製造
Uses
Used as a fragrance and flavoring agent; [HSDB]
CYCLIC TERPENE ALCOHOLS ARE MOSQUITO REPELLENTS
FRAGRANCE & FLAVORING AGENT
U.S. Production
2023: <50,000 lb；2022: 50,000 - <250,000 lb；2021: 50,000 - <250,000 lb；2020: <50,000 lb
(1980) MORE THAN 2.27X10+6 G (CIS/TRANS MIXT)
(1981) MORE THAN 2.27X10+6 G (CIS/TRANS MIXT)
Industry UsesIntermediates
Methods of ManufacturingHYDRATION OF ALPHA-PINENE, BETA-PINENE OR AN ISOMERIC MIXTURE
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-: ACTIVE
調製方法
cis-2-Pinanol is produced industrially by the catalytic hydrogenation of 2-pinane hydroperoxide. Alternatively 2-pinane hydroperoxide can be treated with sodium sulfide in aqueous sodium hydroxide or with sodium methoxide. cis-2-Pinanol can also be obtained directly from pinane by air oxidation in the presence of alkalis, such as sodium hydroxide, at 80–100 ℃.
上流・下流製品情報
上流原料
サプライヤー5 社
BOC Sciences[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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