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4-Methyl-alpha-propylbenzenemethanol

HCID 95404
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
6282-37-7
Standard SMILES
CCCC(O)c1ccc(C)cc1
InChIKey
QTJVYHSODWHIMO-UHFFFAOYSA-N
Molecular formula
C11H16O
Average molar mass
164.24 g/mol
Monoisotopic mass
164.12011513

Names & identifiers

Preferred name
4-Methyl-alpha-propylbenzenemethanol
IUPAC
1-(4-methylphenyl)butan-1-ol
English name
p-methyl-alpha-propylbenzyl alcohol
Molecular formula
C11H16O
Molecular weight
164.24414

Names & synonyms

6282-37-7DTXSID3013027614-Methyl-alpha-propylbenzenemethanolRefChem:525407DTXCID4017328181-(4-methylphenyl)butan-1-ol1-(p-Tolyl)butan-1-olp-Methyl-alpha-propylbenzyl alcohol1-(4-Methylphenyl)-1-butanolMFCD00065232NSC7018EINECS 228-496-6
Show more names
4-Methyl-α-propylbenzenemethanol4-Methyl-α-propylbenzenemethanolBenzenemethanol,4-methyl-a-propyl-Benzenemethanol, 4-methyl-α-propyl-dl-p-Methyl-a-(n-propyl)-benzyl alcholDL-4-METHYL-ALPHA-(PROPYL)BENZYL ALCOHOL
AI3-20569SCHEMBL5407841-(4-Methylphenyl)-butan-1-olQTJVYHSODWHIMO-UHFFFAOYSA-NNSC 7018NSC-7018NSC156794-Methyl-I+/--propylbenzenemethanol

Database identifiers

CAS
6282-37-7
PubChem CID
95404
DTXSID
DTXSID301302761
EC Number
228-496-6
Nikkaji
J206.839G

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
114

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 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)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers3 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

3 records
New reaction record
HRID 677850 reaction equation
HRID 677850As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2293673 reaction equation
HRID 2293673As productuspto-grants-1997_11
HRID 2293674 reaction equation
HRID 2293674As reactantuspto-grants-1997_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes