2-메틸펜타날

2-메틸펜타날 · 2-메틸발레르알데히드 · 2-메틸펜트알데하이드 · 2-METHYLPENTANAL · FEMA 3413 · 2-METHYLVALERALDEHYDE · 2-METHYLPENTALDEHYDE · alpha-methylvaleraldehyde

https://huagongshe.com/ko/chemical/31245

식별자 및 물리적 특성

CAS No.	123-15-9
분자식	C6H12O
평균 분자량	100.16 g/mol
단동위원소 질량	100.088815 g/mol
SMILES	CCCC(C)C=O
InChIKey	FTZILAQGHINQQR-UHFFFAOYSA-N
PubChem CID	31245
ChEMBL	CHEMBL2270061
ChEBI	CHEBI:89986
EC No.	204-605-2
DTXSID	DTXSID9021978
현지명	2-메틸펜타날

화학 및 물리적 성질

XLogP	1.7
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	7
형식 전하	0
복잡도	50.1
물질 분류	Other Classes -> AldehydesFlammable agents - 3rd degree
향료	Fragrance Ingredient (2-Methylpentanal) -> IFRA transparency List
냄새	REMINISCENT OF HAM & CHEESE디프로필렌 글리콜 중 10.00%. 우아함, 과일향, 그린
맛	WOODY, OILY HAM TASTE
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.80920.805-0.8110.808 g/mL at 25 °C(lit.)
향미제	EU Flavoring substances
Viscosity	0.56 mPa.s @ 20 °C
Color/Form	COLORLESS LIQUID
용해도	Sol in water, ether, acetone, slightly sol in carbon tetrachloride.Water solubility = 0.42% wt at 25 °C4.2 mg/mL at 25 °C(in ethanol)에 용해됨클로로포름, 메탄올 (약간 용해됨)
인화점	68 °F (NFPA, 2010)20 °C68 °F (20 °C) (OPEN CUP)62 °F
끓는 점	117 °C116 °C119-120 °C(lit.)
녹는점	-100℃
증기 밀도	3.45 (vs air)
굴절률	n20/D 1.401(lit.)
FEMA	3413 \| 2-METHYLPENTANAL
물리적 상태	투명한 액체
색상	무색 내지 거의 무색
향취 유형	미묘한
용해도	물에 용해됩니다(25°C에서 4.2g/L).
JECFA Number	260
BRN	1739423
헨리 상수	5.3×10-2 mol/(m3Pa) at 25℃, Wang et al. (2017)
InChI	1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
InChIKey	FTZILAQGHINQQR-UHFFFAOYSA-N
SMILES	CCCC(C)C=O
LogP(분배 계수)	1.79
NIST	Pentanal, 2-methyl-(123-15-9)
EPA	Pentanal, 2-methyl- (123-15-9)

화학적 성질

Colorless liquid. Soluble in water 0.42% by wt, flash p68F (20C) (OC).

안전 및 규제

GHS 분류	DangerH225 (16.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1548 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
규제 정보	Chemical: Pentanal, 2-methyl-Status: Active Update: 26-05-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/12255Pentanal, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standardThe 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.)
운송 라벨(DOT)	Flammable Liquid
화재 위험	Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
화재 가능성	FLAMMABLEDANGEROUS FIRE RISK.
건강 유해성	Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin.
유해성 요약	A skin, eye, and mucous membrane irritant[HSDB] Safe when used as a flavoring agent in food[JECFA] An irritant[MSDSonline]
운송 번호 및 가이드(DOT)	2367 130
반응성 그룹	Aldehydes
Reactivity Alerts	Highly Flammable
Reactivity Profile	ALPHA-METHYLVALERALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic

용도

개요

2-Methylpentanal has an ethereal, fruity odor. This may be prepared from 2-methylpentanol by catalytic oxidation.

출처

Reported found in onion, leek, garlic, milk, roasted peanuts, wheat bread, cooked beef, cured pork, coffee, beer, tea, trassi, rice and mango.

용도

Intermediates for dyes, resins, pharmaceuticals.

일반 설명

A colorless liquid. Less dense than water. Flash point near 50°F. Used to make rubber and artificial flavorings.

제조 및 합성 방법

제조 방법

From 2-methylpentanol by catalytic oxidation.