Basic information
- CAS
17699-09-1- Standard SMILES
C=C(C)[C@H]1CC[C@H](C)[C@@H](O)C1- InChIKey
KRCZYMFUWVJCLI-GUBZILKMSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
(+)-dihydrocarveol is a dihydrocarveol with (1S,2S,4S)-stereochemistry. It has a role as a plant metabolite. It is an enantiomer of a (-)-dihydrocarveol.
Names & identifiers
- Preferred name
- Dihydrocarveol, (+-)-
- IUPAC
- (1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
- English name
- (+)-Dihydrocarveol mixture of isomers
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1.alpha.,2.beta.,5.alpha.)-Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1alpha,2beta,5alpha)-RefChem:587705Dihydrocarveol, (+-)-(+-)-1,6-DIHYDROCARVEOL1,6-DIHYDROCARVEOL, (+-)-FEMA NO. 2379, (+-)-(+)-Dihydrocarveol22567-21-1(1S,2S,4S)-DihydrocarveolDihydrocarveol, (+)-(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
Show more names
(S)-Isopulegold-Dihydrocarveolcis-Dihydrocarveol(+)-Dihydrocarveol solution(+)-DIHYDROCARVEOL MIXTURE OF ISOMERS(1α)-2β-Methyl-5α-(1-methylethenyl)cyclohexanol(1S,2S,5S)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-olCyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1S,2S,5S)-
Dihydrocarveol, (+/-)-R6OW1F785Hp-MENTH-8-EN-2-OLZR76810L5217699-09-1(+-)-Dihydrocarveol(1S,2S,5S)-5-Isopropenyl-2-methylcyclohexanol(+-)-trans-Dihydrocarveol
Database identifiers
- CAS
17699-09-1、22567-21-1、38049-26-2、619-01-2- PubChem CID
- 89755
- DTXSID
DTXSID001030862- ChEBI
CHEBI:50235- UNII
- R6OW1F785H、ZR76810L52
- EC Number
- 210-575-1、245-085-7、253-755-5
- Nikkaji
- J259.613J
Properties
Computed structural properties
- XLogP
- 3
- 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
- 151
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesBoiling point
LogP3.21
Physicochemical properties
- Boiling point
- 225 °C · 225°C (estimate)
- Density
- 0.926 g/mL · 0.926 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.476
- Flash point
- 90 ℃ · 90℃
- storage temp.
- 2 · 2-8°C
- pka
- 15.2 · 15.20±0.60(Predicted)
- optical activity
- 20 · [α]20/D +20±1°, neat
- BRN
- 5729399 · 5729399
- InChI
- 1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m0/s1
- InChIKey
- KRCZYMFUWVJCLI-GUBZILKMSA-N
- SMILES
- C[C@H]1CC[C@@H](C[C@@H]1O)C(C)=C
- LogP
- 2.954 · 2.954 (est)
- FDA UNII
- 6 OW1F785H · R6OW1F785H
- UNSPSC Code
- 41116105 · 41116105
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Safety Statements
- 23 · 23-24/25
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
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 55.6% (89 of 160) of all reports.
Warning
H315 (44.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 160 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1.alpha.,2.beta.,5.alpha.)-
Other Safety InformationIMAP assessments - Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1.alpha.,2.beta.,5.alpha.)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (44.4%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Suppliers8 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
NEW SANITARY INTERNATIONAL LIMITED+86-13611854774 15502117565 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Additional notes
DefinitionChEBI: (+)-dihydrocarveol is a dihydrocarveol with (1S,2S,4S)-stereochemistry. It has a role as a plant metabolite. It is an enantiomer of a (-)-dihydrocarveol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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