3-シクロヘキセン-1-カルボキシアルデヒド

3-Cyclohexene-1-carboxaldehyde

HCID 7508CAS 100-50-5

基本情報

標準SMILES
O=CC1CC=CCC1
InChIKey
DCFDVJPDXYGCOK-UHFFFAOYSA-N
分子式
C7H10O
平均分子量
110.15 g/mol
単同位体質量
110.07316494

概要

1,2,3,6-tetrahydrobenzaldehyde appears as a colorless liquid. Less dense than water and slightly soluble in water. Hence floats on water. Irritates skin, eyes and mucous membranes. Used to make fabrics water resistant, and to make other chemicals.

名称と識別子

優先名称
3-Cyclohexene-1-carboxaldehyde
IUPAC
cyclohex-3-ene-1-carbaldehyde
現地名
3-シクロヘキセン-1-カルボキシアルデヒド
英語名
3-Cyclohexene-1-carboxaldehyde
分子式
C7H10O
分子量
110.15

名称と別名

3-CYCLOHEXENE-1-CARBOXALDEHYDE100-50-5Cyclohex-3-ene-1-carbaldehyde1,2,3,6-Tetrahydrobenzaldehyde4-FormylcyclohexeneCyclohexene-4-carboxaldehyde1-Formyl-3-cyclohexene1-Cyclohexene-4-carboxaldehyde1,2,5,6-Tetrahydrobenzaldehyde3-Cyclohexen-1-aldehyde4-Cyclohexene-1-carboxaldehydedelta1-Tetrahydrobenzaldehyde
名称をさらに表示
3-シクロヘキセン-1-カルボキシアルデヒド3-シクロヘキセン-1β-カルボアルデヒド3-シクロヘキセン-1-カルボアルデヒド(4R)-1-シクロヘキセン-4α-カルボアルデヒド3-シクロヘキセン-1-カルボキサルデヒド1,2,3,6-テトラヒドロベンズアルデヒドシクロヘキセン-4-カルボアルデヒド(R)-3-シクロヘキセン-1-カルボアルデヒド4-シクロヘキセン-1-カルボアルデヒド3-シクロヘキセン-1-カルバルデヒドシクロヘキス-3-エン-1-カルブアルデヒドTETRAHYDROBENZALDEHYDE1,2,3,6-Tetrahyrobenzaldehyde, 97%4-FORMYL-1-CYCLOHEXENEohexene-1-carboxaL3-CYCLOHEXENYLMETHANALcyclohex-3-enecarbaldehyde
3-Cyclohexene-1-carbaldehydeNSC 16241DTXSID1026661HSDB 5334EINECS 202-858-3UN2498BRN 0774001AI3-21661

データベース識別子

CAS
100-50-5、1321-16-0
PubChem CID
7508
DTXSID
DTXSID1026661
ChEMBL
CHEMBL3188123
UNII
GAK9539347
EC Number
202-858-3
Nikkaji
J24.543G

物性

構造計算による物性

XLogP
1.2
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
1
重原子数
8

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Benzaldehydes

Flammable agents - 2nd degree

Density0.9694 @ 20 °C/4 °C
Color/FormLiquid
Solubility · 2 件

Soluble in acetone and methanol, slightly soluble in cabon tetrachloride.

Slightly soluble in water.

Flash Point · 3 件

135 °F (NFPA, 2010)

57 °C

135 °F (57 °C) (OPEN CUP)

Boiling Point105 °C

物理化学的性質

融点
1 · 1-3°C
沸点
163 · 163-164 °C(lit.)
比重(密度)
0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
蒸気密度
3.8 · 3.8 (vs air)
蒸気圧
2.52 hPa · 2.52hPa at 25℃
屈折率
20 · n20/D 1.4745(lit.)

化学的性質

化学的特性slightly yellowish-green liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): 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+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+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 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 3-Cyclohexene-1-carboxaldehyde

Status: Active Update: 19-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17258

3-Cyclohexene-1-carboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard

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 LabelFlammable Liquid
Fire Hazards · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryA strong tissue irritant; [HSDB] May cause burns to skin and eyes; [CAMEO] An irritant; May cause burns to eyes; [MSDSonline]
DOT ID and Guide2498 129

安全と保護具

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 1 件

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use "alcohol" foam, dry chemical or carbon dioxide.

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts · 1 件

The mucus membranes of the nasal and oral passages and the upper respiratory tract are affected, producing a burning sensation ... bronchial constriction, choking, and coughing. The eyes tear, and a burning sensation is noted on the skin of the face. /Aldehydes/

Non-Human Toxicity Excerpts · 1 件

Study was conducted to determine if HCHO pretreatment would cause sensory irritation cross tolerance to other inhaled aldehydes. Male F-344 rats, weighing 190 to 210 g, were pretreated with 15 ppm HCHO, 6 hr/day for 9 days, and challenged on the 10th day with a saturated (acetaldehyde, propionaldehyde, and butyraldehyde), unsaturated (acrolein and crotonaldehyde), or cyclic (cyclohexanecarboxaldehyde, 3-cyclohexene-1-carboxaldehyde, and benzaldehyde) aldehyde. The sensory irritation response in these animals was quantified by measuring respiratory rate depression in a head-only inhalation chamber in naive (nonpretreated) animals, the concentration eliciting a 50% decrease in respiratory rate (RD50) was 23 ppm or less for unsaturated aliphatic aldehydes. For cyclic and saturated aliphatic aldehydes, the RD50 ranged from 600 to 1000 ppm and 3000 to 6800 ppm, respectively. Formaldehyde pretreatment resulted in cross tolerance only with acetaldehyde (RD50 increased 3.5-fold) and acrolein (RD50 increased 5-fold the development of cross tolerance following HCHO pretreatment is not a general phenomenon.

Toxicity DataLC50 (rat) = 2,000 ppm/4h

法規制情報

TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 3-cyclohexene-1-carboxaldehyde is included on this list.

安全データ

F
10
wgk
1
tsca
TSCA listed
rtecs
GW2800000
ridadr
UN 2498
hs_code
29122990

化学と産業

薬理情報

Metabolism/Metabolites · 2 件

Aldehydes are readily oxidized to organic acids, which, in turn, can serve as substrates for fatty acid oxidation pathways and the Krebs cycle. ... Oxidation of aldehydes is catalyzed by aldehyde dehydrogenase, which has been found in the brain, erythrocytes, liver, kidney, heart, and placenta. /Aldehydes/

... The detoxification of aldehydes can be seen to proceed basically via two routes: (1) an oxidation to yield readily metabolized acids; (2) inactivation by reaction with sulfhydryl groups, particularly glutathione. Under conditions that either deplete glutathione levels, or that result in an inhibition of aldehyde dehydrogenase (for example, Antabuse treatment), the acute and chronic effects of aldehyde toxicity might be more fully expressed. /Aldehydes/

用途と製造

Uses · 4 件

Used as a chemical intermediate (epoxides used in electrical insulator manufacturing) and agent for improving textile water resistance; [HSDB]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

CHEM INT FOR EPOXIDES USED IN ELECTRICAL INSULATOR MFR; FOR 3-CYCLOHEXENE-1,1-DIMETHANOL; FOR CYCLOALIPHATIC EPOXY RESINS; AGENT FOR IMPROVING TEXTILE WATER RESISTANCE-POSSIBLE USE

Intermediate, improves water resistance of textiles.

U.S. Production · 2 件

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1982) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Methods of ManufacturingPROBABLY BY REACTION OF ACROLEIN WITH BUTADIENE
General Manufacturing Information3-Cyclohexene-1-carboxaldehyde: ACTIVE

応用分野

使用Cyclohex-3-ene-1-carbaldehyde can be used as coupled exposure to ingredients of cosmetic products.

一般的な説明A colorless liquid. Flash point 135°F. Less dense than water and slightly soluble in water. Hence floats on water. Irritates skin, eyes and mucous membranes. Used to make fabrics water resistant, and to make other chemicals.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

関連反応

30 件

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