Basic information
- CAS
55066-48-3- Standard SMILES
CC(CCO)CCc1ccccc1- InChIKey
OXYRENDGHPGWKV-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Overview
structure in first source
Names & identifiers
- Preferred name
- Phenylisohexanol
- IUPAC
- 3-methyl-5-phenylpentan-1-ol
- English name
- 1-PENTANOL, 3-METHYL-5-PHENYL
- Molecular formula
- C12H18O
- Molecular weight
- 178.28
Names & synonyms
3-methyl-5-phenylpentan-1-ol55066-48-3phenoxanol3-Methyl-5-phenyl-1-pentanol3-Methyl-5-phenylpentanolPhenylisohexanolMefrosolDTXSID4044822phenylhexanolBenzenepentanol, .gamma.-methyl-gamma-MethylbenzenepentanolBenzenepentanol, 2-methyl-
Show more names
PHENOXAL3-METHYL-5-PHENYLMethylfluoromethanolrose absolute pentanolMEFROSOL (code:8167603)2-methyl-Benzenepentanol
Benzenepentanol, gamma-methyl-EINECS 259-461-35-phenyl-3-methylpentanol3-Methyl-5-phenyl-n-pentanolDTXCID2024822M56178H183EC 259-461-3RefChem:861752
Database identifiers
- CAS
55066-48-3- PubChem CID
- 108312
- DTXSID
DTXSID4044822- ChEMBL
CHEMBL3185293- UNII
- M56178H183
- EC Number
- 259-461-3
- Nikkaji
- J326.737G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
CosmeticsMasking
FragrancesFragrance Ingredient (3-Methyl-5-phenylpentanol) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionCBI; Liquid
Physicochemical properties
- Boiling point
- 141 · 141-143 °C(Press: 11 Torr)
- Density
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- vapor pressure
- 0.04 Pa · 0.04Pa at 20℃
- pka
- 15.11 · 15.11±0.10(Predicted)
- Odor
- 100 % · at 100.00 %. fresh floral rose absolute geranium green muguet lily honey tropical
- Odor Type
- floral
- Viscosity
- 37.3 mm2/s · 37.3mm2/s
- Water Solubility
- 390 mg/L · 390mg/L at 20℃
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1869) of reports.
Danger
H302 (87.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1869 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenepentanol, .gamma.-methyl-
Benzenepentanol, .gamma.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepentanol, .gamma.-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 3-methyl-5-phenylpentanol (EC: 259-461-3)
Benzenepentanol, .gamma.-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (87.7%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H373-H302
- REACH Registrations
- Active
- Precautionary statements
- P260-P314-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 39 consumer products that contain Phenylisohexanol in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Masking
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzenepentanol, .gamma.-methyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
15 records
Compound notes
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