Basic information
- CAS
473-54-1- Standard SMILES
CC1(O)CCC2CC1C2(C)C- InChIKey
YYWZKGZIIKPPJZ-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 2-Pinanol
- IUPAC
- 2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
- English name
- PINANOL 85
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
473-54-1、4948-29-2- PubChem CID
- 10128
- DTXSID
DTXSID5029180- EC Number
- 207-466-6
- Nikkaji
- J40.558B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
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
Physicochemical properties
- Melting point
- 55 · 55 - 60°C
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Diethyl Ether (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.65 · 2.650 (est)
- FDA UNII
- 5 DZK63N3UU · 5DZK63N3UU
- EPA Substance Registry System
- 2 · 2-Pinanol (473-54-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H312
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
- Hazardous Substances Data
- 473 · 473-54-1(Hazardous Substances Data)
Safety & regulation
GHS classification
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.
Hazard information
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%)
Safety & protection
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.
Regulatory information
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
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H312
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazardous Substances Data
- 473-54-1(Hazardous Substances Data)
Chemistry & industry
Pharmacology
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.
Uses & manufacturing
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
Applications
Usestrans-2-Pinanol is an essential oil component found in a variety of plants.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
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]
Related reactions
1 records
Compound notes
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