2-METHYLUNDECANAL

한글명:2-METHYLUNDECANAL

카스 번호110-41-8

상품명:2-METHYLUNDECANAL

CBNumberCB3113392

분자식C12H24O

포뮬러 무게184.32

MOL 파일110-41-8.mol

화학적 성질

끓는 점	171 °C(lit.)
밀도	0.83 g/mL at 25 °C(lit.)
증기압	2.4Pa at 20℃
굴절률	n20/D 1.432(lit.)
FEMA	2749 \| 2-METHYLUNDECANAL
인화점	200 °F
냄새	디프로필렌 글리콜 중 1.00%. 신선한 호박색 알데하이드 이끼 감귤류 튜베로즈 메탈릭 왁스 쿠마린
?? ??	알데히드계
수용성	1.3mg/L at 20℃
JECFA Number	275
InChI	InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3
InChIKey	NFAVNWJJYQAGNB-UHFFFAOYSA-N
SMILES	C(=O)C(C)CCCCCCCCC
LogP	4.9 at 35℃
CAS 데이터베이스	110-41-8(CAS DataBase Reference)
EPA	Undecanal, 2-methyl- (110-41-8)

위험 및 안전 성명

WGK 독일	1
RTECS 번호	YQ1509000
독성	The acute oral LD₅₀ value was reported as > 5 g/kg in the rat . The acute dermal LD₅₀ for sample no. 71-16 was reported to be > 10 g/kg in the rabbit

그림문자(GHS)

2-METHYLUNDECANAL 화학적 특성, 용도, 생산

개요
2-Methylundecanal has a characteristic fatty odor assuming a floral note on dilution. It has an acrid, fatty unpleasant flavor at high levels. At low levels, the flavor is honey- and nut-like. It may be prepared by cracking the corresponding glycidic acid; from α-nonyl acrolein; from methyl nonyl ketone and ethyl monochloroacetate in the presence of sodium ethylate.
화학적 성질
2-Methylundecanal has a characteristic fatty odor assuming a floral note on dilution. At high levels, it has an acrid, fatty, unpleasant flavor. At low levels, the flavor is honey and nut-like.
출처
Reported found in kumquat peel oil.
용도
Perfumery, flavoring.
제조 방법
2-Methylundecanal is reported as being found in nature. It is a colorless liquid, with an odor markedly different from that of the isomeric dodecanal. It has a fatty odor with incense and ambergris notes.
2-Methylundecanal is produced by two routes:
1) 2-Undecanone is converted into its glycidate by reaction with an alkyl chloroacetate. Saponification of the glycidate, followed by decarboxylation, yields 2-methylundecanal.
2) The second synthesis is based on the conversion of undecanal into 2- methyleneundecanal by reaction with formaldehyde in the presence of catalytic amounts of amines. Hydrogenation of 2-methyleneundecanal yields methylnonylacetaldehyde (MNA). A convenient process starts from 1-decene: hydroformylation gives a mixture consisting mainly of undecanal and 2-methyldecanal. Reaction of the crude product with formaldehyde in the presence of dibutylamine yields a mixture containing over 50% 2-methyleneundecanal. After hydrogenation of the double bond, pure 2-methylundecanal is separated from the by-products by fractional distillation.
In comparison with other fatty aldehydes, 2-methylundecanal is used in perfumery in rather large amounts to impart conifer notes, particularly fir impressions, but frequently also in fantasy compositions.
Safety Profile
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
신진 대사
See monograph on aldehyde C-8*.

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