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Basic information
- CAS
18479-57-7- Standard SMILES
CCC(C)CCCC(C)(C)O- InChIKey
WRFXXJKURVTLSY-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.285 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 2,6-Dimethyloctan-2-ol
- IUPAC
- 2,6-Dimethyloctan-2-ol
- English name
- TETRAHYDROMYRCENOL
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
TETRALOLTETRAHYDRO MUGUOLLinacsolAi3-24902TETRALOL REinecs 242-361-9TETRAHYDROMYRCENOL2,6-dimethyl-2-octano2,6-Dimethyl-2-octanolTETRAHYDROALLOOCIMENOL
Database identifiers
- CAS
18479-57-7- PubChem CID
- 86751
- DTXSID
DTXSID0044810- ChEMBL
CHEMBL3188990- UNII
- EKV1VX27WR
- EC Number
- 242-361-9
- Nikkaji
- J222.212D
Properties
Physicochemical properties
- Melting point
- -1.53 °C · -1.53°C (estimate)
- Boiling point
- 197 · 197-201 °C(lit.)
- Density
- 0.823 g/mL · 0.823 g/mL at 25 °C(lit.)
- vapor pressure
- 9.3 Pa · 9.3Pa at 24℃
- refractive index
- 20 · n20/D 1.4335(lit.)
- Flash point
- 185 °F · 185 °F
- pka
- 15.33 · 15.33±0.29(Predicted)
- color
- A colourless liquid.
- Odor
- 100 % · at 100.00 %. fresh sweet citrus lime floral lily
- Odor Type
- citrus
- Water Solubility
- 281.9 mg/L · 281.9mg/L at 24℃
- Henry's Law Constant
- 2.7 · 2.7×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.2 at · 3.2 at 25℃
- FDA UNII
- 1 VX27WR · EKV1VX27WR
- EPA Substance Registry System
- 2 · 2-Octanol, 2,6-dimethyl- (18479-57-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Risk Statements
- 52 · 52/53
- Safety Statements
- 61 · 61
- WGK Germany
- 2 · 2
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
- wgk
- 2
- tsca
- TSCA listed
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Wohl, 1974).
- risk_code
- 52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 61
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
OccurrenceHas apparently not been reported to occur in nature.
UsesTetrahydromuguol finds extensive use as a soap perfume chemical (mixture) and as a base for many types of floral fragrances, Muguet, Lilac, Rose, Lily, etc. It blends excellently with the conventional “rose materials”, alifatic aldehydes, Decenol, Amylcinnamic aldehyde, Butylcyclohexanyl acetate, etc. for such purposes.
Preparation methods
PreparationFrom allo-ocimene, via allo-ocimenol followed by hydrogenation (Arctander, 1969). Uses: Use in fragrances in the USA amounts to approximately 35,000 lb/yr.
Suppliers38 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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