4-Methylphenethyl alcohol (HCID 95294)

Names & identifiers

Preferred name: 4-Methylphenethyl alcohol
IUPAC: 2-(4-methylphenyl)ethanol
English name: 2-(4-Methylphenyl)ethanol
Molecular formula: C9H12O
Molecular weight: 136.19

Names & synonyms

699-02-52-(4-Methylphenyl)ethanol4-Methylphenethyl alcohol2-p-TolylethanolBenzeneethanol, 4-methyl-p-Methylphenethyl alcohol4-Methylbenzeneethanol2-(p-Methylphenyl)ethanolPhenethyl alcohol, p-methyl-p-Methylphenylethyl alcoholNSC 5295NSC 54360

Show more names

2-(P-TOLYL)ETHANOLtridecyl sulfate2-(p-Tolyl)ethanol>P-Methylphenylethanol4-methyl-benzeneethano4-methyl-Benzeneethanol

NSC-5295GG36R9LNV84-methylphenethanolP-(2-HYDROXYETHYL)TOLUENE4-methyl-1-(2-hydroxyethyl)benzeneEINECS 211-824-7NSC-54360AI3-05848

Database identifiers

CAS: 699-02-5
PubChem CID: 95294
DTXSID: DTXSID6061020
UNII: GG36R9LNV8
EC Number: 211-824-7
Nikkaji: J60.248E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 82.7

Experimental & physicochemical properties

FragrancesFragrance Ingredient (2-p-Tolylethanol) -> IFRA transparency List

Physicochemical properties

Boiling point: 244 · 244-245 °C(lit.)
Density: 0.978 g/mL · 0.978 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.526(lit.)
Flash point: 225 °F · 225 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: 14.92 · 14.92±0.10(Predicted)
Specific Gravity: 0.978 · 0.978
color: Colorless to Light yellow to Light orange
Odor: 100 % · at 100.00 %. floral balsamic rose green
Odor Type: floral
Cosmetics Ingredients Functions: PERFUMING
InChI: InChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3
InChIKey: DAVFJRVIVZOKKS-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=C(C)C=C1
LogP: 2.032 · 2.032 (est)
CAS DataBase Reference: 699 · 699-02-5(CAS DataBase Reference)
FDA UNII: 36 R9LNV8 · GG36R9LNV8
EPA Substance Registry System: 4 · Benzeneethanol, 4-methyl- (699-02-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
PPE: Eyeshields, Gloves
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29062990 · 29062990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Benzeneethanol, 4-methyl-

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesNot Classified

Safety data

PPE: Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29062990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients

General Manufacturing InformationBenzeneethanol, 4-methyl-: ACTIVE

Applications · 2 items

Description2-(4-Methylphenyl)ethanol, also known as 4-Methylphenethyl alcohol, 2-(p-Tolyl)ethanol, is an oily liquid that can promote bile secretion and protect the liver. It is capable of transporting fat from the liver to the extrahepatic fat pool via the bloodstream and has demonstrated a significant inhibitory effect on liver cell destruction caused by alcoholism.

Uses4-Methylphenethyl alcohol was used in the determination of adducts of 1,2- and 1,4-benzoquinone with cysteine residues of hemoglobin and albumin.

Preparation methods · 1 item

PreparationTo prepare 2-(4-Methylphenyl)ethanol, start with 4'-Methylacetophenone as the raw material. Reduce it to 4-methyl-α-phenylethanol using sodium borohydride in ethanol. Mix nicotinic acid with phosphorus oxychloride in pyridine to create nicotinyl chloride. Without separation, add the nicotinyl chloride to the 4-methyl-α-phenylethanol and esterify it into 2-(4-Methylphenyl)ethanol.