2-Phenyl-1,3-propanediol

HCID 254178
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Basic information

CAS
1570-95-2
Standard SMILES
OCC(CO)c1ccccc1
InChIKey
BPBDZXFJDMJLIB-UHFFFAOYSA-N
Molecular formula
C9H12O2
Average molar mass
152.19 g/mol
Monoisotopic mass
152.08372962

Names & identifiers

Preferred name
2-Phenyl-1,3-propanediol
IUPAC
2-phenylpropane-1,3-diol
English name
2-Phenyl-1,3-propanediol
Molecular formula
C9H12O2
Molecular weight
152.19

Names & synonyms

2-PHENYL-1,3-PROPANEDIOL1570-95-21,3-Propanediol, 2-phenyl-phenylpropanediol9F93674JBBNSC-78023DTXSID10166186RefChem:89029DTXCID5088677411-810-2605-082-72-phenylpropane-1,3-diol
Show more names
PPD2-Phenyl-13-propanedioleRARECHEM AL BD 13702-Phenyl-1,3-propaneTiotropium Impurity 192-PHEVYL-1,3-PROPANEDIOL2-Phenyl-1,3-Propanediole
2-phenyl-propane-1,3-diol2-Phenyl-1,3-propane diolMFCD00236056UNII-9F93674JBBNSC78023EC 411-810-22-Phenyl-1.3-Propanediol2-Phenyl-1, 3-Propanediol

Database identifiers

CAS
1570-95-2
PubChem CID
254178
DTXSID
DTXSID10166186
UNII
9F93674JBB
EC Number
411-810-2、605-082-7
Nikkaji
J803.762K

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Melting point
53 · 53-56 °C (lit.)
Boiling point
176 °C · 176 °C(Press: 13 Torr)
Density
1.1161 g/cm3 · 1.1161 g/cm3(Temp: 19 °C)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Hazard information

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9041
Hazard Classes and Categories · 4 items

Eye Dam. 1 (100%)

Eye Dam. 1 (100%)

Eye damage - category 1

Eye Dam. 1

Safety data

wgk
1
hs_code
2932990090
risk_code
41
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xi

Chemistry & industry

Applications

Uses2-Phenyl-1,3-propanediol may be used to synthesize enantiomers of 2-phenyl-3-hydroxypropylcarbamate, via a chemoenzymatic method. It may also be employed in the preparation of 2-phenyl-1,3-propanedithiol.

UsesFelbamate derived compound. A substrate for eukaryotic lipase enzymes.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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