1-Phenyl-2-propanol

HCID 94185
NotesReactions
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Basic information

CAS
14898-87-4
Standard SMILES
CC(O)Cc1ccccc1
InChIKey
WYTRYIUQUDTGSX-UHFFFAOYSA-N
Molecular formula
C9H12O
Average molar mass
136.19 g/mol
Monoisotopic mass
136.088815

Names & identifiers

Preferred name
1-Phenyl-2-propanol
IUPAC
1-phenylpropan-2-ol
English name
BENZYLMETHYLCARBINOL
Molecular formula
C9H12O
Molecular weight
136.19

Names & synonyms

1-Phenyl-2-propanol698-87-3Benzeneethanol, alpha-methyl-Benzyl methyl carbinol2-Hydroxy-1-phenylpropane2-Propanol, 1-phenyl-alpha-Methylbenzeneethanol300Y7TB8EYNSC-53553DTXSID70862379RefChem:76949DTXCID30217104
Show more names
Benzeneethanol, a-methyl-NSC 53553Ai3-055311-Phenyl-2-propanol>Tryptophan Impurity 58
211-821-01-Phenylpropan-2-ol14898-87-4BenzylmethylcarbinolMethylbenzeneethanolBenzeneethanol, .alpha.-methyl-MFCD000045403-Phenyl-2-propanol

Database identifiers

CAS
14898-87-4、698-87-3
PubChem CID
94185
DTXSID
DTXSID70862379
UNII
300Y7TB8EY
EC Number
211-821-0、691-119-2
Nikkaji
J69.579C

Properties

Computed structural properties

XLogP
2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other
LogP1.97
Vapor Pressure0.01 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
135 · 135-136℃
Boiling point
219 · 219-221 °C (lit.)
Density
0.973 g/mL · 0.973 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.522(lit.)
Flash point
85 °C · 85 °C
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Regulatory Information · 2 items

Chemical: Benzeneethanol, .alpha.-methyl-

Benzeneethanol, .alpha.-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Benzeneethanol, .alpha.-methyl-: Environment tier I assessment
Hazards SummaryCauses ataxia in intraperitoneal lethal-dose studies of mice (LD50 = 520 mg/kg); [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 2-Methyl-1-phenyl-2-propanol and 2-Phenylisopropanol.
Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Skin Irrit. 2 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
tsca
TSCA listed
rtecs
SG8589500
hs_code
29062990
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneethanol, .alpha.-methyl-: ACTIVE
Applications · 3 items

UsesMethylbenzeneethanol is a chemical reagent used towards the synthesis of ruthenium nanoparticles supported on graphene.

Uses1-Phenyl-2-propanol was used in bioreduction of 1-phenyl-2-propanone using Rhodococcus erythropolis JX-021.

General Description1-Phenyl-2-propanol is a useful pharmaceutical intermediate.

Upstream & downstream products

Suppliers63 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]

Related reactions

19 records
New reaction record

Compound notes

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