CAS 4799-68-2 3-Benzyloxy-1-propanol (HCID 347971)

Names & identifiers

Preferred name: 3-Benzyloxy-1-propanol
IUPAC: 3-phenylmethoxypropan-1-ol
English name: 3-Benzyloxy-1-propanol
Molecular formula: C10H14O2
Molecular weight: 166.22

Names & synonyms

3-Benzyloxy-1-propanolDTXSID30324524RefChem:498047DTXCID10275641610-399-94799-68-23-(Benzyloxy)propan-1-ol3-Benzyloxypropanol1-Propanol, 3-(phenylmethoxy)-3-(Benzyloxy)-1-propanol3-Benzyloxy-propan-1-ol3-phenylmethoxypropan-1-ol

Show more names

DK793DOMIT-018NSC 4069223-Benzyloxy-1-propan1-(Benzyloxy)-3-propanol3-BENZYLOXY-1-PROPANOL 99%

MFCD000296591-Propanol, 3-(benzyloxy)-3-Benzyloxypropan-1-ol3-benzyloxy-l-propanol3-benzyloxypropane-1-ol3-(BENZYLOXY)-PROPANE-1-OL3-(phenylmethoxy)-1-propanol3-Benzyloxy-1-propanol, 97%

Database identifiers

CAS: 4799-68-2
PubChem CID: 347971
DTXSID: DTXSID30324524
EC Number: 610-399-9
Nikkaji: J100.239B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 98

Physicochemical properties

Boiling point: 111 · 111-114 °C/2 mmHg (lit.)
Density: 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.516
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka: 14.88 · 14.88±0.10(Predicted)
form: Liquid
Specific Gravity: 1.049 · 1.049
color: Clear colorless
λmax: 258 nm · 258nm(CH2Cl2)(lit.)
BRN: 1864016 · 1864016
InChI: InChI=1S/C10H14O2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKey: FUCYABRIJPUVAT-UHFFFAOYSA-N
SMILES: C(O)CCOCC1=CC=CC=C1
CAS DataBase Reference: 4799 · 4799-68-2(CAS DataBase Reference)
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 · 26-37/39
WGK Germany: 3 · 3
HS Code: 2909498090 · 2909498090
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

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 2909498090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
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

Uses3-Benzyloxy-1-propanol may be used for the synthesis of 1-benzyloxy-3-iodopropane.

General Description3-Benzyloxy-1-propanol is an organic building block. It undergoes cleavage selectively at the C3-O position in the presence of ruthenium catalyst.

Upstream & downstream products

Upstream raw materials

2H-Pyran, tetrahydro-2-[3-(phenylmethoxy)propoxy]-2-phenyl-1,3-dioxane Benzaldehyde Benzyl chloride 1,4-Butanediol 1,3-Propanediol Allyl alcohol Benzyl alcohol Benzyl bromide

Downstream products

3-(Benzyloxy)propan-1-amine (3-Benzyloxypropyl)triphenylphosphonium bromide 3-(benzyloxy)propanoic acid Ethyl 3-(benzyloxy)propanoate

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

74 records

New reaction record

HRID 120728As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 180628As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 201395As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 203892As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 227400As reactantuspto-grants-2009_07

HRID 279668As reactantuspto-grants-2002_03

HRID 313412As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 320639As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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Basic information