2,2,4-트리메틸-1,3-펜탄디올 아이소뷰틸산

2,2,4-트리메틸-1,3-펜탄디올모노이소부티레이트 · 2,2,4-트리메틸-1,3-펜탄디올아이소뷰틸산 · 2,2,4-트리메틸-1,3-펜탄디올이소부틸산 · CS-12(상품명):쿄와놀M(상품명) · 텍사놀 · 2,2,4-트라이메틸-1,3-프로판산,2-메틸-,모노에스터 · 트라이메틸하이드록시펜틸아이소부티레이트 · 2,2,4-트리메틸-1,3-펜탄디올아이소뷰틸산(2,2,4-TRIMETHYL-1,3-PENTANEDIOLIS...

https://huagongshe.com/ko/chemical/6490

식별자 및 물리적 특성

CAS No.	25265-77-4
분자식	C12H24O3
평균 분자량	216.32 g/mol
단동위원소 질량	216.17254463 g/mol
SMILES	CC(C)C(=O)OCC(C)(C)C(O)C(C)C
InChIKey	DAFHKNAQFPVRKR-UHFFFAOYSA-N
PubChem CID	6490
ChEMBL	CHEMBL3184970
ChEBI	CHEBI:229355
EC No.	201-049-2
DTXSID	DTXSID10872295
현지명	2,2,4-트리메틸-1,3-펜탄디올 아이소뷰틸산

화학 및 물리적 성질

XLogP	3.1
극성 표면적	46.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	6
무거운 원자 수	15
형식 전하	0
복잡도	207
물질 분류	Other Classes -> Other Organic Compounds
향료	Fragrance Ingredient (Propanoic acid, 2-_methyl-_, monoester with 2,_2,_4-_trimethyl-_1,_3-_pentanediol) -> IFRA transparency List
LogP(분배 계수)	3.47
Plasticizers	Plasticizer
밀도	0.95 at 68 °F (USCG, 1999) - Less dense than waterwill floatRelative density (water = 1): 0.950.95 g/mL at 25 °C (lit.)
용해도	Solubility in water, g/100ml: 2
인화점	248 °F (USCG, 1999)120 °C o.c.244°C
끓는 점	471 °F at 760 mmHg (USCG, 1999)255-260 °C255 °C (lit.)
녹는점	-50 °C-50 °C (lit.)
증기 밀도	Relative vapor density (air = 1): 7.5
후각 역치	Odor Threshold Low: 0.06 [ppm]
증기압	0.0097 [mmHg]Vapor pressure, Pa at 20 °C: 1.3
굴절률	1.44-1.442
저장 조건	Sealed in dry,Room Temperature
물리적 상태	액체
색상	무색의
비중	0.95
냄새	Mild odor
용해도	물 900mg/L에 용해됩니다.
화장품 원료 기능	가소제
InChI	InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
InChIKey	DAFHKNAQFPVRKR-UHFFFAOYSA-N
SMILES	C(C)(C)(COC(=O)C(C)C)C(O)C(C)C
LogP(분배 계수)	3.2 at 20℃
EPA	2,2,4-Trimethylpentane-1,3-diol monoisobutyrate (25265-77-4)

화학적 성질

Clear liquid

안전 및 규제

GHS 분류	WarningH320: Causes eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
규제 정보	Chemical: Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl esterChemical: Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediolPropanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol 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)2,2,4-Trimethylpentane-1,3-diol monoisobutyrate: Does not have an individual approval but may be used under an appropriate group standardPropanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester: 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.
기타 안전 정보	IMAP assessments - Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol: Human health tier I assessment
화재 위험	Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)Combustible.
건강 유해성	Exposure can cause mild irritation of eyes, nose and throat. (USCG, 1999)
유해성 요약	A minor skin irritant in guinea pigs and minor eye irritant in rabbitsNot sensitizing to guinea pig skinIncreased absolute and relative liver weights with minor histopathological changes (considered adaptive and reversible) observed in sub-chronic oral study of ratsNo evidence of reproductive toxicity, developmental toxicity, or teratogenicity in rats[IUCLID] A skin and eye irritant[ICSC] A mild eye, nose, and throat irritantMay cause smarting and reddening of the skin if spilled on clothes and not removedHigh vapor concentrations may cause mild smarting of the eyes and respiratory system

용도

2,2,4-트리메틸-1,3-펜탄디올 아이소뷰틸산코팅에있는 합체를 위해 주로 사용하고, 또한 금, 석탄에있는 부양 대리인을 위해 사용하는; 가소제 등으로서 사용할 수있다.

용도

Intermediate in the manufacture of plasticizers, surfactants, pesticides, and resins.

일반 설명

2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate (TMPD-MIB, texanol), a volatile organic compound (VOC), is an important component found in paints and printing inks. It is utilized as a coalescing agent to reduce the minimal film forming temperature (MFFT) during latex film preparation. Its detection in polypropylene packed food samples has been reported by coupled capillary gas chromatography-mass spectrometry (HRGC-MS). The performance of various dispersant affecting the dispersion of multi-walled carbon nanotube (MWCNT) in texanol has been studied.