Basic information
- CAS
1901-38-8- Standard SMILES
CC1=CCC(CCO)C1(C)C- InChIKey
NPGPPCSBEMHHCR-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.1357652
Overview
See also: (+)-Campholenol (annotation moved to).
Names & identifiers
- Preferred name
- alpha-CAMPHOLENOL
- IUPAC
- 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol
- English name
- 2,2,3-trimethylcyclopent-3-ene-1-ethanol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
alpha-Campholenol1901-38-82-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethanol2,2,3-Trimethylcyclopent-3-ene-1-ethanol.alpha.-CampholenolNaturanolCampholenic alcohol, alpha-alpha-campholenic alcoholCampholenol, alpha-FEMA No. 37413-Cyclopentene-1-ethanol, 2,2,3-trimethyl-TRIMENOL
Show more names
ALPHA-CAMPHOLENICALCOHOL2,2,3-Trimethylcyclopenta-3-ene-1-ethanol2-(2,2,3-Trimethylcyclopent-3-enyl)ethanol
9H6329UALZEINECS 217-600-52,2,3-TRIMETHYL-3-CYCLOPENTENE-1-ETHANOLRefChem:555424(+-)-CAMPHOLENE ALCOHOLCAMPHOLENE ALCOHOL, (+-)-217-600-5Campholenic alcohol
Database identifiers
- CAS
1901-38-8、52437-39-5- PubChem CID
- 61284
- DTXSID
DTXSID30862779- UNII
- 9H6329UALZ
- EC Number
- 217-600-5
- Nikkaji
- J13.018D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.882-0.894 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Slightly soluble in water; soluble in fat
Miscible at room temperature (in ethanol)
Boiling Point
74.00 °C. @ 0.60 mm Hg
74 °C (0.6 mm Hg)
Refractive Index1.470-1.478
Physical DescriptionColourless liquid; sweet, berry, camphoraceous odour
Physicochemical properties
- Boiling point
- 132 °C · 132 °C
- Density
- 0.889 · 0.889
- FEMA
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3-Cyclopentene-1-ethanol, 2,2,3-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Cyclopentene-1-ethanol, 2,2,3-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in black raspberries and rosemary.
Suppliers5 total
上海恩诺生物科技有限公司+86 (21) 6435-5022
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
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