(R)-2-Octanol

HCID 80080
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Substructure searchFind similar structures

Basic information

CAS
5978-70-1
Standard SMILES
CCCCCC[C@@H](C)O
InChIKey
SJWFXCIHNDVPSH-MRVPVSSYSA-N
Molecular formula
C8H18O
Average molar mass
130.23 g/mol
Monoisotopic mass
130.1357652

Overview

(2R)-octan-2-ol is an octan-2-ol. It is an enantiomer of a (2S)-octan-2-ol.

Names & identifiers

Preferred name
(R)-2-Octanol
IUPAC
(2R)-octan-2-ol
English name
L(-)-2-Octanol
Molecular formula
C8H18O
Molecular weight
130.23

Names & synonyms

5978-70-1(R)-2-octanol(2R)-octan-2-ol2-Octanol, (2R)-2-Octanol, (R)-2-Octanol, (theta)-2SHB67XF6HCHEBI:37871DTXSID80884209RefChem:477284DTXCID301023664227-777-0
Show more names
L(-)-OctanoL(-)-2-OCTANOL(R)-(-)-OCTANOL
(R)-(-)-2-Octanol(R)-Octan-2-ol(2R)-2-octanoll-Octan-2-olMFCD00064284(-)-2-OCTANOL(R)-(-)-Hexylmethylcarbinoll-2-octanol

Database identifiers

CAS
5978-70-1
PubChem CID
80080
DTXSID
DTXSID80884209
ChEBI
CHEBI:37871
UNII
2SHB67XF6H
EC Number
227-777-0
Nikkaji
J10.699B

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
9

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesDensity
Vapor Pressure0.19 [mmHg]
Physical DescriptionColorless liquid with a pleasant odor; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-61.15 °C · -61.15°C (estimate)
Boiling point
175 °C · 175 °C(lit.)
alpha
-9.5 · -9.5 º (neat)
Density
0.82 g/mL · 0.820 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.426(lit.)
Flash point
160 °F · 160 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (72.2%): 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 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Octanol, (R)-

(R)-(-)-2-Octanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryA strong eye irritant; [Alfa Aesar MSDS] See 2-Octanol.
Hazard Classes and CategoriesSkin Irrit. 2 (72.2%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

wgk
3
tsca
TSCA listed
hs_code
29051620
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used to make perfumes, in disinfectant soaps, to prevent foaming, and as solvent for fats and waxes; [Merck Index]

Using Disinfectants or Biocides [Category: Clean]

General Manufacturing Information2-Octanol, (2R)-: INACTIVE

Upstream & downstream products

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]

Additional notes

DefinitionChEBI: (2R)-octan-2-ol is an octan-2-ol. It is an enantiomer of a (2S)-octan-2-ol.

Related reactions

29 records
New reaction record

Compound notes

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