CAS 111-87-5|1-Octanol

Introduction：Basic information about CAS 111-87-5|1-Octanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 1-Octanol BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles165
8. Synonyms

Common Name	1-Octanol
CAS Number	111-87-5	Molecular Weight	130.22800
Density	0.827 g/mL at 25 °C(lit.)	Boiling Point	196 °C(lit.)
Molecular Formula	C₈H₁₈O	Melting Point	−15 °C(lit.)
MSDS	ChineseUSA	Flash Point	178 °F
Symbol	GHS07	Signal Word	Warning

Names

Name	octan-1-ol
Synonym	More Synonyms

1-Octanol BiologicalActivity

Description	1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].
Related Catalog	Signaling Pathways >>Membrane Transporter/Ion Channel >>Calcium ChannelResearch Areas >>Metabolic DiseaseResearch Areas >>Neurological Disease
Target	T-type calcium channel:4 μM (IC50) Human Endogenous Metabolite
In Vitro	1-octanol inhibits native T-currents at subanesthetic concentrations with an IC50 of approximately 4 μM. In contrast, 1-octanol is up to 30-fold less potent in inhibiting recombinant CaV3.3 T-channels heterologously expressed in human embryonic kidney cells[1].
References	[1]. Joksovic PM, et al. Mechanisms of inhibition of T-type calcium current in the reticular thalamic neurons by 1-octanol: implication of the protein kinase C pathway. Mol Pharmacol. 2010 Jan;77(1):87-94. [2]. Akhtar MK, et al. Microbial production of 1-octanol: A naturally excreted biofuel with diesel-like properties. Metab Eng Commun. 2014 Nov 13;2:1-5.

Chemical & Physical Properties

Density	0.827 g/mL at 25 °C(lit.)
Boiling Point	196 °C(lit.)
Melting Point	−15 °C(lit.)
Molecular Formula	C₈H₁₈O
Molecular Weight	130.22800
Flash Point	178 °F
Exact Mass	130.13600
PSA	20.23000
LogP	2.33920
Vapour density	4.5 (vs air)
Vapour Pressure	0.14 mm Hg ( 25 °C)
Index of Refraction	n20/D 1.429(lit.)
Stability	Stable. Flammable. Incompatible with strong oxidizing agents.
Water Solubility	insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RH6550000

CHEMICAL NAME :: Octyl alcohol

CAS REGISTRY NUMBER :: 111-87-5

LAST UPDATED :: 199712

DATA ITEMS CITED :: 16

MOLECULAR FORMULA :: C8-H18-O

MOLECULAR WEIGHT :: 130.26

WISWESSER LINE NOTATION :: Q8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >3200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5600 mg/m3/4H

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Lungs, Thorax, or Respiration - chronic pulmonary edema Blood - hemorrhage

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1790 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 69 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 1240 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - somnolence (general depressed activity)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 4 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 800 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 182,135,1987 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80235 No. of Facilities: 1071 (estimated) No. of Industries: 29 No. of Occupations: 32 No. of Employees: 13905 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80235 No. of Facilities: 9310 (estimated) No. of Industries: 133 No. of Occupations: 93 No. of Employees: 287737 (estimated) No. of Female Employees: 72792 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H319-H412
Precautionary Statements	P273-P280-P305 + P351 + P338-P337 + P313
Personal Protective Equipment	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xi:Irritant
Risk Phrases	R36/38
Safety Phrases	S26-S36/37-S37/39
RIDADR	3082
WGK Germany	1
RTECS	RH6550000
Packaging Group	III
Hazard Class	9
HS Code	2905161000

Customs

HS Code	2905161000

Articles165

Acetonitrile adduct formation as a sensitive means for simple alcohol detection by LC-MS.

J. Am. Soc. Mass Spectrom. 25(11) , 1987-90, (2014)

Simple alcohols formed protonated acetonitrile adducts containing up to two acetonitrile molecules when analyzed by ESI or APCI in the presence of acetonitrile in the solvent. These acetonitrile adduc...

Determination of low levels of benzodiazepines and their metabolites in urine by hollow-fiber liquid-phase microextraction (LPME) and gas chromatography-mass spectrometry (GC-MS).

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 975 , 24-33, (2014)

In this study, it is shown a method for the determination of benzodiazepines and their main metabolites in urine samples by hollow-fiber liquid-phase microextraction (LPME) in the three-phase mode. In...

The EpiOcular Eye Irritation Test (EIT) for hazard identification and labelling of eye irritating chemicals: protocol optimisation for solid materials and the results after extended shipment.

Altern. Lab. Anim. 43 , 101-27, (2015)

The 7th Amendment to the EU Cosmetics Directive and the EU REACH Regulation have reinforced the need for in vitro ocular test methods. Validated in vitro ocular toxicity tests that can predict the hum...

Synonyms

Alfol 8

[14C]-n-Octanol

caprylic

MFCD00002988

Capryl alcohol

EINECS 203-917-6

caprylic alcohol

Lorol 20

n-octyl alcohol

sipoll8

OCTANOL

Octilin

Epal 8

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