2-Octanol, 2-methyl-

HCID 69406
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
628-44-4
Standard SMILES
CCCCCCC(C)(C)O
InChIKey
KBCNUEXDHWDIFX-UHFFFAOYSA-N
Molecular formula
C9H20O
Average molar mass
144.25 g/mol
Monoisotopic mass
144.15141526

Names & identifiers

Preferred name
2-Octanol, 2-methyl-
IUPAC
2-methyloctan-2-ol
English name
2-Methyl-2-octanol
Molecular formula
C9H20O
Molecular weight
144.25

Names & synonyms

2-Methyl-2-octanol628-44-42-Octanol, 2-methyl-1,1-Dimethylheptyl alcoholI38JIM8KS0EINECS 211-044-7NSC 21984NSC-21984UNII-I38JIM8KS0N-HEXYLDIMETHYLCARBINOLAI3-24901DTXSID5060855
Show more names
2-methyl-2-octylol2-Methyloctane-2-ol5-[(E)-2-phenylethenyl]-1,3-benzodioxole
2Methyloctan2ol2Octanol, 2methylRefChem:88853DTXCID1043548211-044-7KBCNUEXDHWDIFX-UHFFFAOYSA-N2-Methyloctan-2-olMFCD00021849

Database identifiers

CAS
628-44-4
PubChem CID
69406
DTXSID
DTXSID5060855
UNII
I38JIM8KS0
EC Number
211-044-7
Nikkaji
J96.509J

Properties

Computed structural properties

XLogP
3
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
10

Experimental & physicochemical properties

SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
6.15 °C · 6.15°C (estimate)
Boiling point
178 °C · 178°C
Density
0.8158 · 0.8158
refractive index
1.426 · 1.4260
storage temp.
Refrigerator
solubility
Chloroform, Ethyl Acetate, DMSO

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Octanol, 2-methyl-

2-Octanol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Octanol, 2-methyl-: Environment tier I assessment
Hazards SummaryA skin and eye irritant; [ChemSampCo MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

tsca
TSCA listed
Signal word
Danger
Symbol(GHS)
GHS07,GHS02,GHS05
Hazard statements
H315-H318-H335-H226
Precautionary statements
P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Octanol, 2-methyl-: INACTIVE
Applications · 1 item

Uses2-Methyl-2-octanol is a useful synthetic intermediate. It can be used as an intermediate to synthesize 4-(1,1-Dimethylheptyl)phenol Diethoxylate (D472850) which is capable of stimulating vitellogenin gene expression in trout hepatocytes, gene transcription in transfected cells, and the growth of breast cancer cell lines.

Upstream & downstream products

Suppliers33 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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