2-[1-Adamantyl]propan-2-ol

HCID 300814CAS 775-64-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(O)C12CC3CC(CC(C3)C1)C2
InChIKey
WBKAUEBLTWRERU-UHFFFAOYSA-N
Molecular formula
C13H22O
Average molar mass
194.31 g/mol
Monoisotopic mass
194.16706532

Names & identifiers

Preferred name
2-[1-Adamantyl]propan-2-ol
IUPAC
2-(1-adamantyl)propan-2-ol
English name
2-(1-Adamantyl)propan-2-ol
Molecular formula
C13H22O
Molecular weight
194.31

Names & synonyms

2-(1-adamantyl)propan-2-ol2-[1-Adamantyl]propan-2-olDTXSID50306423RefChem:83807DTXCID80257550WBKAUEBLTWRERU-UHFFFAOYSA-N775-64-42-Adamantan-1-yl-propan-2-ol2-(adamantan-1-yl)propan-2-olMFCD001678552-(1-Adamantyl)-2-propanoltricyclo[3.3.1.1~3,7~]decane-1-methanol, alpha,alpha-dimethyl-
Show more names
EU-0000233CDS1_000794ZINC03895606AKOS BC-0263A3716/0157419
2-adamantanylpropan-2-olNSC176180Maybridge1_005546DivK1c_001834SCHEMBL871816SCHEMBL1771080SCHEMBL36641362-(1-adamantyl)-propan-2-ol

Database identifiers

CAS
775-64-4
PubChem CID
300814
DTXSID
DTXSID50306423
EC Number
986-149-0
Nikkaji
J522.873E

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
75 °C · 75°C
Boiling point
276.2 · 276.2±8.0 °C(Predicted)
Density
1.07 · 1.070±0.06 g/cm3(Predicted)
pka
15.65 · 15.65±0.29(Predicted)
NIST Chemistry Reference
2 · 2-[1-Adamantyl]propan-2-ol(775-64-4)
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
24/25
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers43 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
重庆茂环科技有限公司13996103726 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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