아이소옥틸 알코올

Isooctan-1-ol

HCID 15450

기본 정보

CAS
1653-40-3
표준 SMILES
CC(C)CCCCCO
InChIKey
BWDBEAQIHAEVLV-UHFFFAOYSA-N
분자식
C8H18O
평균 분자량
130.23 g/mol
단동위원소 질량
130.1357652

개요

Isooctyl alcohol appears as a clear colorless liquid with a faint pleasant odor. Flash point 180 °F. Less dense than water and insoluble in water. Vapors are heavier than air. Used as a solvent, in the making of cutting and lubricating oils, in hydraulic fluids, and in the production of other chemicals.

이름 및 식별자

우선 이름
Isooctan-1-ol
IUPAC
6-methylheptan-1-ol
현지명
아이소옥틸 알코올
영어명
6-Methylheptanol
분자식
C8H18O
분자량
130.23

이름 및 동의어

Isooctan-1-olRefChem:7919986-METHYL-1-HEPTANOL1653-40-36-METHYLHEPTAN-1-OLIsooctanol1-Heptanol, 6-methyl-ISOOCTYL ALCOHOL26952-21-66-MethylheptanolMFCD000608426-Methylheptanol (90per cent)
이름 더 보기
아이소옥틸알코올6-메틸-1-헵탄올isooctanols6-methyl-1-heptano1-HEPTANOL,6-METHYL-6-Methyl-1-heptyl Alcohol
6-methyl-heptan-1-ol6-Methylheptanol (90%)IJF7D6C38T91994-92-240742-11-86-Methyl-1-heptyl Alcohol (unlabelled)METHYL HEPTANOLUNII-IJF7D6C38T

데이터베이스 식별자

CAS
1653-40-3、26952-21-6、40742-11-8、68526-83-0、68551-09-7、91994-92-2
PubChem CID
15450
DTXSID
DTXSID50872375
ChEBI
CHEBI:44009
UNII
IJF7D6C38T
EC Number
248-133-5、255-061-8、295-250-2、846-641-7
Nikkaji
J12.469I

물성

구조 계산 물성

XLogP
2.8
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
5
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 2nd degree
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point
OdorMild
Density · 5건

0.832 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8176 at 25 °C

Bulk density = 6.95 lb/gal

0.832

0.83

Viscosity10.6 centipoise at 15 °C

물리화학적 성질

녹는점
-106 °C · -106°C
끓는 점
187 °C · 187°C
밀도
0.8175 · 0.8175
굴절률
1.4255 · 1.4255
저장 조건
Refrigerator
용해도
아세토니트릴(약간 용해됨), 클로로포름(가용성), 메탄올(약간 용해됨)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 27.5% (109 of 397) of reports.

Warning

H302 (66.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 397 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

유해성 정보

Regulatory Information · 4건

Chemical: Isooctanol

Isooctanol: Does not have an individual approval but may be used under an appropriate group standard

Alcohols, C7-9-branched, C8-rich: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsInhalation hazard slight. Skin contact results in moderate irritation. Liquid contact with eyes causes severe irritation and possible eye damage. (USCG, 1999)
Hazards Summary · 1건

This is a mixture of closely related isomeric, primary alcohols with branched chains such as 2-Ethylhexanol. [NIOSH] Isooctyl alcohol causes anesthesia after percutaneous absorption in experimental animals. [ACGIH] A skin, eye, and respiratory tract irritant; Inhalation of high concentrations may cause CNS effects; [ICSC]

Reactive GroupAlcohols and Polyols

안전 및 보호

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First Aid · 2건

Excerpt from NIOSH Pocket Guide for Isooctyl alcohol:

(General first aid procedures)

Fire Fighting ProceduresExtinguish with water, foam, dry chemical, or carbon dioxide, cool exposed containers with water.
Cleanup MethodsVentilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent and remove to safe place.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Disposal Methods · 1건

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

독성 정보

Body Burden · 1건

The air expired from humans contained isooctyl alcohol(1) in 15.8% of the 387 samples collected from 54 subjects(2). The average isooctyl alcohol concn of 1.3 ng/L was expressed as the geometric mean with upper and lower limits of 0.33 and 5.1 respectively(2).

Target OrgansEyes, skin, respiratory system
Ecotoxicity Values · 5건

LC50 Lepomis macrochirus (Bluegill) 30 mg/L/24 hr, static

LC50 Lepomis macrochirus (Bluegill) 29 mg/L/96 hr, static

EC50 Daphnia magna (Water flea; intoxication, immobilization) 115 mg/L/24 hr; static /formulated product/

EC50 Scenedesmus subspicatus (Green algae; cell multiplication inhibition) 14 mg/L/48 hr; static /formulated product/

For more Ecotoxicity Values (Complete) data for ISOOCTYL ALCOHOL (6 total), please visit the HSDB record page.

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a water solubility of 640 mg/L(2) and a regression-derived equation(3), indicates that isooctyl alcohol is expected to have high mobility in soil(SRC). Volatilization of isooctyl alcohol from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 9.2X10-5 atm-cu m/mole(SRC), derived from its vapor pressure, 0.344 mm Hg(4), and water solubility(2). Isooctyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Based on analogy to n-octanol isomers, isooctyl alcohol may biodegrade rapidly in acclimated terrestrial environments(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a water solubility of 640 mg/L(2) and a regression-derived equation(3), indicates that isooctyl alcohol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 9.2X10-5 atm-cu m/mole(SRC), derived from its extrapolated vapor pressure, 0.344 mm Hg(4), and water solubility(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 14 hours and 7.8 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 16(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Based on analogy to n-octanol isomers, isooctyl alcohol may biodegrade rapidly in acclimated aquatic systems(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isooctyl alcohol, which has an extrapolated vapor pressure of 0.344 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isooctyl alcohol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.3 days(SRC), calculated from its rate constant of 1.2X10-11 cu cm/molecule-sec at 25 °C(3).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routesinhalation, skin absorption, ingestion, skin and/or eye contact

규제 정보

Atmospheric Standards · 1건

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isooctyl alcohol is produced, as an intermediate or final product, by process units covered under this subpart.

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

용도 및 제조

Uses · 5건

Used in plasticizers and in organic synthesis; Also used in resin solvents, emulsifiers, and antifoaming agents; [Hawley]

Plastic Composites Manufacturing [Category: Industry]

Ingredient of plasticizers, intermediate for nonionic detergents and surfactants, synthetic drying oils, cutting and lubricating oils, hydraulic fluids; resin solvents; emulsifiers; antifoaming agent; intermediate for introducing the isooctyl group into other cmpd.

Branched C16 alcohols, also known as isohexadecyl alcohol or C16 oxo alcohols, are prepared by the oxo process and by aldol-like condensation of isooctyl alcohol and subsequent hydrogenation.

The principal use of these alcohols is in preparing plasticizers, mainly diisoctyl phthalate, but also esters of adipic, sebacic, azelaic, and trimellitic acids. Isooctyl alcohol is also used as a solvent for fats, oils, and waxes, as well as various rubber formulations ...

U.S. Production · 4건

(1980) 32,000 tonnes

(1986) >1 million to 10 million pounds

(1990) >10 thousand-500 thousand pounds

(1998) >10 thousand-500 thousand pounds

Methods of ManufacturingIsooctyl alcohols or isooctanols are ... made by the oxo process in which heptenes are reacted with carbon monoxide and hydrogen in the presence of a catalyst, followed by hydrogenation.
Formulations/PreparationsIsooctyl alcohols or isooctanols are mixtures of isomeric C8 alcohols ... The commercial product typically consists of methyl-1-heptanols and/or dimethyl-1-hexanols; the composition and CAS registry number depend on the olefin feedstock.
General Manufacturing Information · 4건

Isooctanol: ACTIVE

Usually refers to a mixture of isomers made by the Oxo process.

A mixture of closely related isomeric branched-chain primary alcohols: RCH2OH where R represents a branched heptyl radical. The branching consists mostly of methyl groups located in the 3-, 4-, or 5-positions.

Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol" /eg, 1-octanol/, and the mixtures are called "-yl alcohol /eg, octyl alcohol/ or "iso...yl alcohol" /eg, isooctyl alcohol/.

응용 분야

용도6-Methylheptanol is a volatile compound used as flavor and fragrance agent.

상·하류 제품 정보

공급사100 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
天津市光复科技发展有限公司022-85689490 13132141716 · [email protected]

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22건

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