4-Benzyloxy-1-butanol (HCID 562212)

Names & identifiers

Preferred name: 4-Benzyloxy-1-butanol
IUPAC: 4-phenylmethoxybutan-1-ol
English name: 4-Benzyloxy-1-butanol
Molecular formula: C11H16O2
Molecular weight: 180.24

Names & synonyms

4-Benzyloxy-1-butanol4541-14-44-benzyloxybutanolDTXSID70340167RefChem:518508DTXCID90291248610-249-24-(Benzyloxy)butan-1-ol4-phenylmethoxybutan-1-ol4-benzyloxybutan-1-ol1-Butanol, 4-(phenylmethoxy)-MFCD00155211

Show more names

4-Benzyloxy-1-butano4-Benzyloxybutane-1-ol4-(Benzyloxy)butane-1-ol4-Benzyloxy-1-butanol 97%4-Benzyloxy-1-butanol,97%4-Benzyloxy-1-butanol, 96 %

4-(Benzyloxy)-1-butanolTetramethylene glycol monobenzyl ether1-Butanol, 4-(benzyloxy)-4-benyloxybutanol4-benzyloxybutyl alcohol4-benzyloxy-butan-1-ol4-(Benzyloxy);butan-1-olSCHEMBL96048

Database identifiers

CAS: 4541-14-4
PubChem CID: 562212
DTXSID: DTXSID70340167
EC Number: 610-249-2
Nikkaji: J99.563K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 13
Formal charge: 0
Complexity: 109

Physicochemical properties

Boiling point: 216 · 216-256 °C (lit.)
Density: 1.025 g/mL · 1.025 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.513(lit.)
Flash point: 109 °C · 109 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 15.07 · 15.07±0.10(Predicted)
Specific Gravity: 1.025 · 1.025
color: Colourless
BRN: 1944253 · 1944253
InChI: InChI=1S/C11H16O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey: TYROJDFHUXSBHC-UHFFFAOYSA-N
SMILES: C(O)CCCOCC1=CC=CC=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29094980 · 29094980
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29094980
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Benzyloxy-1-butanol may be used for the preparation of ethyl 6-benzyloxy-2-hexenoate, via Swern oxidation and Wadsworth-Emmons olefination. It may be used as starting reagent for the synthesis of 4-(benzyloxy)butanal.

General Description4-Benzyloxy-1-butanol can be prepared starting from butane-1,4-diol.