Basic information
- CAS
472-20-8- Standard SMILES
CC1=C(CO)C(C)(C)CCC1- InChIKey
QWNGCDQJLXENDZ-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
Beta-Cyclogeraniol is a primary alcohol.
Names & identifiers
- Preferred name
- 2,6,6-Trimethylcyclohexene-1-methanol
- IUPAC
- (2,6,6-trimethylcyclohexen-1-yl)methanol
- English name
- 2,6,6-trimethylcyclohexene-1-methanol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
2,6,6-Trimethylcyclohexene-1-methanol1-Cyclohexene-1-methanol, 2,6,6-trimethyl-2,6,6-Trimethyl-1-cyclohexene-1-methanolEINECS 207-449-3AI3-37228DTXSID60197061RefChem:445150DTXCID70119552207-449-3472-20-8BETA-CYCLOGERANIOL(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)METHANOL
Show more names
--Cyclogeraniolβ-Cyclogeraniol2-CyclogeraniolCyclogeranyl AlcohoCyclogeranyl Alcohol
(2,6,6-trimethylcyclohexen-1-yl)methanolB-Cyclogeraniol.beta.-Cyclogeraniol1-Cyclohexene-1-methanol,2,6,6-trimethyl-MFCD09840290-Cyclogeraniol|?-CyclogeraniolXD3YT58R9H
Database identifiers
- CAS
472-20-8- PubChem CID
- 111664
- DTXSID
DTXSID60197061- ChEBI
CHEBI:167402- UNII
- XD3YT58R9H
- EC Number
- 207-449-3
- Nikkaji
- J11.884B
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 177
Physicochemical properties
- Melting point
- 43.5 °C · 43.5°C
- Boiling point
- 237.64 °C · 237.64°C (rough estimate)
- Density
- 0.945 · 0.9450
- refractive index
- 1.487 · 1.4870
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.85 · 14.85±0.10(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 472 · 472-20-8
- FDA UNII
- 3 YT58R9H · XD3YT58R9H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1-Cyclohexene-1-methanol, 2,6,6-trimethyl-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usesβ-Cyclogeraniol (cas# 472-20-8) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers17 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Additional notes
DefinitionChEBI: Beta-Cyclogeraniol is a primary alcohol.
Related reactions
1 records
Compound notes
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