Basic information
- CAS
5617-92-5- Standard SMILES
CC(C)=CC1C(CO)C1(C)C- InChIKey
HIPIENNKVJCMAP-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
Chrysanthemol is a homoallylic alcohol, a primary alcohol, a monoterpenoid and a member of cyclopropanes.
Names & identifiers
- Preferred name
- Chrysanthemol
- IUPAC
- [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
- English name
- TRANS-CHRYSANTHEMYL ALCOHOL
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
ChrysanthemolChrysanthemyl alcohol5617-92-5[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanemethanolR52DEG7BXK(2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl)methanolRefChem:125955227-045-0trans-Chrysanthemyl alcoholMFCD000013052,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanemethanol
Show more names
chrysanthemyl alcohol, mixture of cis and transChrysanthemyl alcohol, mixture of cis and trans 98%2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-methanol(+/-)-CHRYSANTHEMYL ALCOHOL, 98%, MIXTUR E OF CIS AND TRANS(E)-2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)CYCLOPROPANEMETHANOLChrysanthemyl alcohol, mixture of cis and trans2,2-dimethyl-3-(2-methylpropyl-1-ene-1-yl)cyclopropanemethylolCyclopropanemethanol, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-
trans-Chrysanthemol (1R,3R and 1S,3S mix)Cyclopropanemethanol, 2,2-dimethyl-3-(2-methyl-1-propenyl)-EINECS 227-045-0Spectrum_001321SpecPlus_000337[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanolAI3-20836Spectrum2_001768
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 175
Physicochemical properties
- Boiling point
- 66 · 66-69 °C0.07 mm Hg(lit.)
- Density
- 0.888 g/mL · 0.888 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.475(lit.)
- Flash point
- 185 °F · 185 °F
- form
- Liquid
- pka
- 15.1 · 15.10±0.10(Predicted)
- color
- Clear yellow
- InChI
- 1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3
- InChIKey
- HIPIENNKVJCMAP-UHFFFAOYSA-N
- SMILES
- C\C(C)=C\C1C(CO)C1(C)C
- LogP
- 2.837 · 2.837 (est)
- FDA UNII
- 52 DEG7BXK · R52DEG7BXK
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
- Precautionary statements
- 273 · P273
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 2.5% (1 of 40) of reports.
H411 (97.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (97.5%)
Safety data
- wgk
- 3
- hs_code
- 29061900
- Symbol(GHS)
- GHS09
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H411
- Hazard Classifications
- Aquatic Chronic 2
- Precautionary statements
- P273
Chemistry & industry
Applications
UsesChrysanthemyl alcohol was used in the determination of position of double bonds in various terepenes and branched chain compounds.
General DescriptionOxidation of chrysanthemyl alcohol in the presence of [RuO4]2- yields chrysantheniic acid.
Suppliers32 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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