470171
3-Methyl-1-phenyl-3-pentanol
98%
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About This Item
Linear Formula:
C6H5CH2CH2C(CH3)(C2H5)OH
CAS Number:
Molecular Weight:
178.27
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
233-889-0
MDL number:
Assay:
98%
assay
98%
refractive index
n20/D 1.511 (lit.)
bp
112-112.5 °C/0.8 mmHg (lit.)
density
0.938 g/mL at 25 °C (lit.)
SMILES string
CCC(C)(O)CCc1ccccc1
InChI
1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChI key
AEJRTNBCFUOSEM-UHFFFAOYSA-N
General description
3-Methyl-1-phenyl-3-pentanol is a tertiary alcohol and belongs to the fragrance structural group Aryl Alkyl Alcohols. Sulfuric acid catalyzed cyclization of 3-methyl-1-phenyl-3-pentanol has been proposed.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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J Scognamiglio et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50 Suppl 2, S168-S172 (2011-10-29)
A toxicologic and dermatologic review of 1-phenyl-3-methyl-3-pentanol when used as a fragrance ingredient is presented. 1-Phenyl-3-methyl-3-pentanol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a tertiary alcohol. The AAAs are a structurally diverse class of
Friedel-Crafts cyclialkylations of certain mono-and diphenyl-substituted alcohols and alkyl chlorides.
Khalaf AA and Roberts RM.
The Journal of Organic Chemistry, 37(26), 4227-4235 (1972)