기본 정보
- 표준 SMILES
CC1(O)CCC2CC1C2(C)C- InChIKey
YYWZKGZIIKPPJZ-UHFFFAOYSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.13576519
이름 및 식별자
- 우선 이름
- 2-Pinanol
- IUPAC
- 2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
- 현지명
- 피나놀85
- 영어명
- PINANOL 85
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
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
이름 더 보기
피나놀85TRANS-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
데이터베이스 식별자
- CAS
473-54-1、4948-29-2- PubChem CID
- 10128
- DTXSID
DTXSID5029180- EC Number
- 207-466-6
- Nikkaji
- J40.558B
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 185
실험 및 물리화학적 성질
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
물리화학적 성질
- 녹는점
- 55 · 55 - 60°C
- 저장 조건
- Refrigerator, under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 디에틸에테르(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 화장품 원료 기능
- 향수
- LogP
- 2.65 · 2.650 (est)
- EPA
- 2 · 2-Pinanol (473-54-1)
안전 및 규제
GHS 분류
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.
유해성 정보
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%)
안전 및 보호
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.
규제 정보
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
안전 데이터
- tsca
- TSCA listed
- 유해 물질 데이터
- 473-54-1(Hazardous Substances Data)
화학 및 산업
약리 정보
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.
용도 및 제조
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
제조 방법
생산 방법cis-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 ℃.
상·하류 제품 정보
상류 원료
공급사5 곳
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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