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트리메틸롤프로판

Trimethylolpropane

HCID 6510
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
77-99-6
표준 SMILES
CCC(CO)(CO)CO
InChIKey
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
분자식
C6H14O3
평균 분자량
134.17 g/mol
단동위원소 질량
134.0942943

개요

Trimethylolpropane is a primary alcohol.

이름 및 식별자

우선 이름
Trimethylolpropane
IUPAC
2-ethyl-2-(hydroxymethyl)propane-1,3-diol
현지명
트리메틸롤프로판
영어명
Trimethylolpropane
분자식
C6H14O3
분자량
134.17

이름 및 동의어

Trimethylolpropane77-99-62-Ethyl-2-(hydroxymethyl)-1,3-propanediol1,1,1-TRIS(HYDROXYMETHYL)PROPANEEthriolHexaglycerineEtriolEttriolTMP (alcohol)Propylidynetrimethanol1,1,1-TrimethylolpropaneEthyltrimethylolmethane
이름 더 보기
2-에틸-2하이드록시메틸-1,3-프로판디올트리메틸롤프로판트리메틸올프로판트라이메틸올프로판1,1,1-트리(히드록시메틸)프로판1,1,1-트리메틸올프로판1,1,1-트리스(히드록시메틸)프로판2-에틸-2-(히드록시메틸)-1,3-프로판디올2-에틸-2-(히드록시메틸)프로판디올TMPTMP(알콜)에트리올에틸트리메틸올메탄트리스(히드록시메틸)프로판프로판, 1,1,1-트리스(히드록시메틸)-헥사글리세린Trimethylol propaneHEXAGLYCEROLTrimethylopropaneTrimethylolpropanTrimethylol
1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-Tri(hydroxymethyl)propaneTris(hydroxymethyl)propane2,2-Bis(hydroxymethyl)-1-butanolMethanol, (propanetriyl)tris-2-Ethyl-2-(hydroxymethyl)propanediolPropane, 1,1,1-tris(hydroxymethyl)-DTXSID2026448

데이터베이스 식별자

CAS
77-99-6
PubChem CID
6510
DTXSID
DTXSID2026448
ChEMBL
CHEMBL3185136
ChEBI
CHEBI:183310
UNII
090GDF4HBD
EC Number
201-074-9
Nikkaji
J35.936J

물성

구조 계산 물성

XLogP
-0.8
극성 표면적
60.7 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
9
형식 전하
0
복잡도
60.4

실험 및 물리화학적 성질

Polymers · 3건

Other Classes -> Alcohols and Polyols, Other

Plastics -> Heat stabilisers

Plastics -> N.a.

SpringerMaterials PropertiesBoiling point
LogP-0.5
Density1.084 g/cm³
Color/Form · 2건

WHITE POWDER OR PLATES

COLORLESS CRYSTALS

Solubility · 2건

SOL IN ALL PROP IN WATER, ALCOHOL; INSOL IN BENZENE, CARBON TETRACHLORIDE

Solubility in water at 20 °C: miscible

Flash Point172 °C c.c.
Boiling Point · 2건

160 °C @ 5 MM HG

292-297 °C

Melting Point · 2건

58 °C

58 °C

Vapor DensityRelative vapor density (air = 1): 4.63
Vapor Pressure0.0000449 [mmHg]

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 94% (4784 of 5087) of all reports.

Not Classified

Aggregated GHS information provided per 5087 reports by companies from 12 notifications to the ECHA C&L Inventory.

Danger

H360: May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Chemical: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-

1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Propylidynetrimethanol (EC: 201-074-9)

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

Other Safety InformationIMAP assessments - 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-: Human health tier I assessment
Fire HazardsCombustible. Finely dispersed particles form explosive mixtures in air.
Hazards SummaryCauses somnolence and respiratory depression in lethal-dose feeding studies of rats and mice; [RTECS] An eye and respiratory tract irritant; [ICSC] May cause irritation; [MSDSonline]
Chemical DangersReacts violently with strong oxidants.
Hazard Classes and Categories · 2건

Not Classified

Reproductive toxicity - Category 1B

화학 및 산업

용도 및 제조

Uses · 6건

Used to make varnishes, alkyd resins, polyesters, UV cross linking agents, and esters; Also used in synthetic drying oils, urethane foams and coatings, silicone lube oils, lactone plasticizers, textile finishes, surfactants, epoxidation products, and as a cross-linking agent for spandex fibers; [HSDB] Used to make resins in closed systems; [OECD SIDS: Trimethylolpropane]

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

CONDITIONING AGENT; MFR OF VARNISHES, ALKYD RESINS; SYNTHETIC DRYING OILS; URETHANE FOAMS & COATINGS; SILICONE LUBE OILS; LACTONE PLASTICIZERS; TEXTILE FINISHES; SURFACTANTS; EPOXIDATION PRODUCTS

CHEM INT FOR POLYESTERS FOR POLYURETHANE FOAMS

CHEM INT FOR POLYESTERS FOR ALKYD SURFACE COATINGS

CHEM INT FOR PLASTICTZERS, EG, THE TRIHEPTANOATE ESTER

U.S. Exports · 2건

(1979) No Data

(1981) No Data

U.S. Imports · 2건

(1979) No Data

(1981) No Data

U.S. Production · 3건

2023: 25,000,000 - <40,000,000 lb

(1979) 1.68X10+10 GRAMS (ESTIMATE)

(1981) 1.62X10+10 GRAMS (ESTIMATE)

Consumer UsesPigment
Industry UsesNot Known or Reasonably Ascertainable
Methods of ManufacturingALDOL CONDENSATION OF N-BUTYRALDEHYDE WITH EXCESS FORMALDEHYDE IN THE PRESENCE OF A BASE CATALYST, EG, SODIUM HYDROXIDE
Household ProductsInformation on 21 consumer products that contain Trimethylolpropane in the following categories is provided:
Use Classification · 2건

Plastics -> Polymer Type -> N.a.

Plastics -> Heat stabilisers

관련 반응

139건
반응 기록 만들기
HRID 65293 반응식
HRID 65293생성물로uspto-grants-1986_09
HRID 66693 반응식
HRID 66693생성물로uspto-grants-1982_08
HRID 134575 반응식
HRID 134575반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 155940 반응식
HRID 155940반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 215706 반응식
HRID 215706생성물로반응물로uspto-grants-2012_06
HRID 223583 반응식
HRID 223583생성물로uspto-grants-1982_10
HRID 247050 반응식
HRID 247050반응물로uspto-grants-1987_11
HRID 259382 반응식
HRID 259382반응물로uspto-grants-1977_07
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화합물 노트

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Food Contact Substances · 6건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

물리화학적 성질

녹는점
56 · 56-58 °C(lit.)
끓는 점
159 · 159-161 °C2 mm Hg(lit.)
밀도
1.176 · 1.176
증기 밀도
4.8 · 4.8 (vs air)
증기압
1 mm · <1 mm Hg ( 20 °C)
굴절률
1.485 · 1.4850 (estimate)
인화점
172 °C · 172 °C
저장 조건
30 °C · Store below +30°C.
용해도
2 O: · H2O: 0.1 g/mL, 투명
산도 계수 (pKa)
14.01 · 14.01±0.10(Predicted)
물리적 상태
플레이크
색상
하얀색
수소이온지수(pH)
6.5 · 6.5 (100g/l, H2O, 20℃)(External MSDS)
폭발한계
2 · 2-11.8%(V)
수용성
녹는
BRN
1698309 · 1698309
Henry's Law Constant
1.2 · 1.2×106 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
화장품 원료 기능
보습제용제
InChI
1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChIKey
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
SMILES
CCC(CO)(CO)CO
LogP
-0.975 · -0.975 (est)
NIST
1 · 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-(77-99-6)
EPA
Trimethylolpropane (77-99-6)

화학적 성질

Trimethylolpropane is a Colorless, hygroscopic crystals. Soluble in water and alcohol. Combustible.The three primary hydroxyl groups undergo the normal OH group reactions.

Explosive Limits and PotentialExplosive limits , vol% in air: 2.0-11.8

안전 및 보호

Fire FightingUse water spray, powder, alcohol-resistant foam, carbon dioxide.
First Aid Measures · 4건

Fresh air, rest.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

Safe StorageSeparated from strong oxidants. Dry. Well closed.
Spillage DisposalPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. Wash away remainder with plenty of water.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Short Term ExposureMay cause mechanical irritation to the eyes and respiratory tract.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Signs and Symptoms · 3건

Cough.

Redness.

Cough.

Toxicity DataLC50 (rat) > 850 mg/m3/4h

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
TY6470000
독성
LD50 orally in Rabbit: > 2500 mg/kg
HS 번호
29054100
safety_code
22-24/25
기존화학 물질
KE-13838
자연 발화 온도
375 °C DIN 51794
Hazard Classifications
Repr. 2
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
77-99-6(Hazardous Substances Data)
General Manufacturing Information · 2건

Paint and Coating Manufacturing

1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-: ACTIVE

응용 분야 · 1건

용도Trimethylolpropane acts as a precursor to alkyd resins, high-gloss coatings and ion exchange resins. It is also employed as a multifunctional monomer utilized for the production of coatings, ethoxylated and propoxylated trimethylolpropane derivatives. Further, it serves as a building block in the polymer industry.

상·하류 제품 정보

상류 원료

Film evaporator포르말린n-뷰탈알데히드

하류 제품

synthetic fiber oil QDH-101폴리우레탄 중합체Flame retardant for pure-dacron톨루엔 디이소시안산 (혼합 이성질체)트리메틸롤프로판 모노알릴 에테르디메틸올부탄산트리메틸올프로판디알릴에테르트리메틸롤프로판 디아크릴산염트리메틸롤프로판트리스(β-티오프로피오네이트)

추가 설명

정의ChEBI: Trimethylolpropane is a primary alcohol. It is used as a precursor for the manufacture of resins including alkyds, saturated polyesters and polyurethanes (polyester polyol and polycarbonate diol).