Basic information
- CAS
26532-23-0- Standard SMILES
CC1(C)CCC/C(=C/CO)C1- InChIKey
SHYLMMBHTKLAJS-UITAMQMPSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.1357652
Names & identifiers
- Preferred name
- Grandlure II
- IUPAC
- (2Z)-2-(3,3-dimethylcyclohexylidene)ethanol
- English name
- (Z)-3,3-Dimethylcyclohexylideneethanol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
Grandlure II26532-23-0(Z)-2-(3,3-Dimethylcyclohexylidene)ethanol(2Z)-2-(3,3-Dimethylcyclohexylidene)ethanolEthanol, 2-(3,3-dimethylcyclohexylidene)-, (2Z)-JMG9PKS7RTUNII-JMG9PKS7RTcis-3,3-Dimethyl-DELTA1,beta-cyclohexaneethanoldelta1,beta-Cyclohexaneethanol, 3,3-dimethyl-, (Z)-DTXSID7035276cis-3,3-dimethyl-.delta.1-.beta.-cyclohexanethanolDIMETHYLCYCLOHEXYLIDENE)ETHANOL, (Z)-2-(3,3-
Show more names
Ethanol, 2-(3,3-dimethylcyclohexylidene)-, (Z)--, Z(z)-2-(3,3-dimethylGuggulsterone E&GrandlureII,Z-IsomerofEthanol, 2-3,3-dimethylcyclohexylidene(Z)-3,3-Dimethylcyclohexylideneethanolcis-3,3-Dimethyl-Δ1,β-cyclohexaneethanol3-dimethylcyclohexylidene)-2-((z)-ethano
(Z)-3,3-DIMETHYL-.DELTA.1,.BETA.-CYCLOHEXANEETHANOLCIS-3,3-DIMETHYL-.DELTA.1,.BETA.-CYCLOHEXANEETHANOL.DELTA.1,.BETA.-CYCLOHEXANEETHANOL, 3,3-DIMETHYL-, (Z)-RefChem:144313(Z)-3,3-DIMETHYL-DELTA1,BETA-CYCLOHEXANEETHANOLDTXCID5015276cis-3,3-dimethyl-delta1-beta-cyclohexanethanol607-953-7
Database identifiers
- CAS
26532-23-0、30346-27-1- PubChem CID
- 5365896
- DTXSID
DTXSID7035276- UNII
- JMG9PKS7RT
- EC Number
- 607-953-7
- Nikkaji
- J4.087H
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 156
Physicochemical properties
- Boiling point
- 212.7 · 212.7±8.0℃ (760 Torr)
- Density
- 0.966 · 0.966±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.4771 · 1.4771 (25℃)
- Flash point
- 90 · 90.0±8.3℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 PKS7RT · JMG9PKS7RT
- EPA Substance Registry System
- -2 · (Z)-2-(3,3-Dimethylcyclohexylidene)ethanol (26532-23-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Ethanol, 2-(3,3-dimethylcyclohexylidene)-, (2Z)-: ACTIVE
Ethanol, 2-(3,3-dimethylcyclohexylidene)-, (2E)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers9 total
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
Related reactions
1 records
Compound notes
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