Benzenebutanol

HCID 76889CAS 3360-41-6
Substructure searchFind similar structures

Basic information

Standard SMILES
OCCCCc1ccccc1
InChIKey
LDZLXQFDGRCELX-UHFFFAOYSA-N
Molecular formula
C10H14O
Average molar mass
150.22 g/mol
Monoisotopic mass
150.10446507

Names & identifiers

Preferred name
Benzenebutanol
IUPAC
4-phenylbutan-1-ol
English name
4-Phenylbutanol
Molecular formula
C10H14O
Molecular weight
150.22

Names & synonyms

4-Phenyl-1-butanol4-Phenylbutan-1-ol3360-41-6Benzenebutanol4-PhenylbutanolPhenylbutyl alcohol1-Butanol, 4-phenyl-Q5ORZ1321GNSC-71383DTXSID3062994RefChem:916871DTXCID9038715
Show more names
4-PHENYL BUTANOL4-Hexyl-1-butanol4-PHENYLBUTANOL-11-Phenyl-4-butanol4-PHENYL-1-BUSTANOL
222-128-84-Phenylbutyl Alcohol4-phenyl-butan-1-olMFCD000029714-Phenyl-n-butanol4-Phenyl butanol-155053-52-6phenbutanol

Database identifiers

CAS
3360-41-6、55053-52-6
PubChem CID
76889
DTXSID
DTXSID3062994
ChEMBL
CHEMBL5590376
UNII
Q5ORZ1321G
EC Number
222-128-8
Nikkaji
J1.822H

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point
140 · 140-142 °C14 mm Hg(lit.)
Density
0.984 g/mL · 0.984 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.521(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature
solubility
Almost insoluble in water, soluble in alcohol and oils

Safety & regulation

GHS classification

GHS Classification · 4 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Benzenebutanol

Status: Active Update: 03-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26363

Benzenebutanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAquatic Chronic 3 (33.3%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
tsca
TSCA listed
rtecs
222-128-8
hs_code
29062900
risk_code
34

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenebutanol: INACTIVE
Applications · 3 items

Uses4-Phenyl-1-butanol is used as a reagent in the synthesis of substituted pyrrolidine-2-carboxylic acids which are used in the treatment of AT2 receptor function associated diseases.

Uses4-Phenyl-1-butanol was used in synthesis of NK105, a paclitaxel-incorporating micellar nanoparticle formulation.

General Description4-Phenyl-1-butanol is oxidized by ceric ammonium nitrate in acetonitrile to afford 2-phenyltetrahydrofuran. It undergoes cyclization in presence of phosphoric acid at high temperature to yield tetralin.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

Related reactions

150 records
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Linked notes

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