Basic information
- CAS
138-87-4- Standard SMILES
C=C(C)C1CCC(C)(O)CC1- InChIKey
RUJPNZNXGCHGID-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
Beta-terpineol is a member of the class of terpineols that is cyclohexanol carrying additional methyl and propenyl substituents at positions 1 and 4 respectively. It has a role as a volatile oil component, a fragrance and a plant metabolite. It is a terpineol and a tertiary alcohol.
Names & identifiers
- Preferred name
- Beta-Terpineol
- IUPAC
- 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
- English name
- BETA-TERPINEOL
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
BETA-TERPINEOL138-87-4p-Menth-8-en-1-ol1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-olCyclohexanol, 1-methyl-4-(1-methylethenyl)-1-Methyl-4-(1-methylethenyl)cyclohexanol1-Methyl-4-isopropenylcyclohexan-1-ol4-Isopropenyl-1-methyl-1-cyclohexanolFEMA No. 3564beta-TerpinolDTXSID7041209XS86XKC2VT
Show more names
β-TERPINEOL4-Isopropenyl-1-methylcyclohexanolAI300731AI3 00731AI3-00731b-Terpineolp-Ment-8-en-1-ol
DTXCID5021209CHEBI:132899RefChem:5679811-methyl-4-(1-methylethenyl)cyclohexanal205-342-6trans-beta-Terpineolcis-beta-Terpineol7299-40-3
Database identifiers
- CAS
138-87-4、7299-40-3、7299-41-4- PubChem CID
- 8748
- DTXSID
DTXSID7041209- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (p-Menth-8-en-1-ol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.930-0.936
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, alcohol, and oils
(in ethanol)
Boiling Point210 °C
Refractive Index1.482-1.485
Physical Descriptioncolourless, slightly viscous liquid with a pungent woody-earthy odour
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 37.4% (55 of 147) of reports.
Warning
H315 (62.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 147 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: Cyclohexanol, 1-methyl-4-(1-methylethenyl)-
Beta-terpineol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexanol, 1-methyl-4-(1-methylethenyl)-: Environment tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (62.6%)
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationCyclohexanol, 1-methyl-4-(1-methylethenyl)-: ACTIVE
Applications
OccurrenceReported found in citrus peel oils, orange and grapefruit juice, guava, ginger, nutmeg, thymus, cognac, mango, apple brandy, cardamom, dill herb and seed, laurel, rosemary, buchu oil, lemon balm, Roman chamomile oil and eucalyptus oil.
Suppliers1 total
珠海安哲生物科技有限公司13169972583 · [email protected]
Additional notes
DefinitionChEBI: Beta-terpineol is a member of the class of terpineols that is cyclohexanol carrying additional methyl and propenyl substituents at positions 1 and 4 respectively. It has a role as a plant metabolite, a volatile oil component and a fragrance. It is a terpineol and a tertiary alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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