1,2-Propanediol, 1-phenyl-

HCID 15825

Notes Reactions

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Basic information

CAS: 1855-09-0
Standard SMILES: CC(O)C(O)c1ccccc1
InChIKey: MZQZXSHFWDHNOW-UHFFFAOYSA-N
Molecular formula: C9H12O2
Average molar mass: 152.19 g/mol
Monoisotopic mass: 152.08372962

Names & identifiers

Preferred name: 1,2-Propanediol, 1-phenyl-
IUPAC: 1-phenylpropane-1,2-diol
English name: 1-phenylpropane-1,2-diol
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

1,2-Propanediol, 1-phenyl-DTXSID10883760RefChem:412144DTXCID108381141-Phenylpropane-1,2-diol1855-09-01,2-Dihydroxy-1-phenylpropane1-PHENYL-1,2-PROPANEDIOLEINECS 217-452-1(RS,RS)-2-Methyl-1-phenyl-1,2-ethanediol; 1,2-Dihydroxy-1-phenylpropane; 1-Phenyl-1,2-dihydroxypropane1-phenyl-1,2-propane diolSCHEMBL25159

Show more names

PhenylpropanediolFelbamate Impurity 101-phenyl-1,2-propandiol

SCHEMBL4472225SCHEMBL11539994CHEBI:224860QBA42152MFCD00463756DB-225879NS00047065

Database identifiers

CAS: 1855-09-0
PubChem CID: 15825
DTXSID: DTXSID10883760
ChEBI: CHEBI:224860
EC Number: 217-452-1
Nikkaji: J199.670C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 108

Experimental & physicochemical properties

Kovats Retention Index · 2 items

2361；2365

1326.6

Physicochemical properties

Melting point: 56 · 56-57 °C
Boiling point: 140 · 140-145 °C(Press: 30 Torr)
Density: 1.1003 g/cm3 · 1.1003 g/cm3
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Low-Melting Solid
pka: 14.09 · 14.09±0.20(Predicted)
color: White to Off-White
Stability: Hygroscopic
InChI: InChI=1S/C9H12O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9-11H,1H3
InChIKey: MZQZXSHFWDHNOW-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1)(O)C(O)C
FDA UNII: 9 F93674JBB · 9F93674JBB
EPA Substance Registry System: 1 · 1,2-Propanediol, 1-phenyl- (1855-09-0)
TSCA: TSCA listed
HS Code: 2906290000 · 2906290000

Safety & regulation

Safety data

tsca: TSCA listed
hs_code: 2906290000

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Propanediol, 1-phenyl-: INACTIVE

Applications

Uses1-Phenyl-1,2-propanediol is a reagent in pharmaceutical chemistry, used in the synthesis of nor(pseudo)ephedrine related compounds.

Upstream & downstream products

Upstream raw materials

Benzenemethanol, α-(1-methyl-2-propen-1-yl)-1-Propanone, 2-(acetyloxy)-1-phenyl-1-Phenyl-1,2-epoxypropane 2-Methyl-3-phenyl-oxirane 1-Phenyl-1,2-propanedione cis-beta-Methylstyrene trans-beta-Methylstyrene β-Methylstyrene Benzaldehyde Allylbenzene Acetone

Downstream products

Benzylmethylcarbinol 2-hydroxypropiophenone

Suppliers21 total

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

武汉问津化学科技有限公司13517196568 · [email protected]

欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]

Related reactions

1 records

New reaction record

HRID 1244196As productuspto-grants-2006_10

Compound notes

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