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1,1-Dicyclopropyl-prop-2-YN-1-OL

HCID 520109
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
24297-12-9
Standard SMILES
C#CC(O)(C1CC1)C1CC1
InChIKey
OXBOSLIINGKALV-UHFFFAOYSA-N
Molecular formula
C9H12O
Average molar mass
136.19 g/mol
Monoisotopic mass
136.088815

Names & identifiers

Preferred name
1,1-Dicyclopropyl-prop-2-YN-1-OL
IUPAC
1,1-dicyclopropylprop-2-yn-1-ol
English name
1,1-Dicyclopropyl-prop-2-yn-1-ol
Molecular formula
C9H12O
Molecular weight
136.19

Names & synonyms

24297-12-91,1-DICYCLOPROPYL-PROP-2-YN-1-OLRefChem:409809652-071-81,1-dicyclopropylprop-2-yn-1-ol6662-40-4alpha-Cyclopropyl-alpha-ethynylcyclopropanemethanol2-Propyn-1-ol, 1,1-dicyclopropyl-,1,1-Dicyclopropylpropyn-1-o1SCHEMBL1993857DTXSID30334249OXBOSLIINGKALV-UHFFFAOYSA-N
Show more names
α-Cyclopropyl-α-ethynylcyclopropanemethanolCyclopropanemethanol, α-cyclopropyl-α-ethynyl-
AKOS024430097DA-07767

Database identifiers

CAS
24297-12-9、6662-40-4
PubChem CID
520109
DTXSID
DTXSID30334249
EC Number
652-071-8

Properties

Computed structural properties

XLogP
1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
10
Formal charge
0
Complexity
178

Physicochemical properties

Symbol(GHS)
9 · GHS09,GHS07
Signal word
Warning
Hazard statements
400 · H400-H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P273-P391-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, P273, P301+P317, P330, P391, 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. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS09,GHS07
Hazard statements
H400-H302
Precautionary statements
P264-P270-P301+P312-P330-P501-P273-P391-P501

Chemistry & industry

Suppliers1 total

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

4 records
New reaction record
HRID 136817 reaction equation
HRID 136817As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2106628 reaction equation
HRID 2106628As reactantuspto-grants-1990_06
HRID 2422492 reaction equation
HRID 2422492As productuspto-grants-2011_06
HRID 2422493 reaction equation
HRID 2422493As reactantuspto-grants-2011_06

Compound notes

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