3,7-디메틸-1-옥탄올

3,7-디메틸-1-옥탄올 · ar1 · AR 1 · aprol100 · PELARGOL · FEMA 2391 · DIMETHYLOCTANOL · TETRAHYDROGERANIOL

식별자 및 물리적 특성

CAS No.	151-19-9
분자식	C10H22O
평균 분자량	158.28 g/mol
단동위원소 질량	158.16706532 g/mol
SMILES	CCC(C)CCC(C)(O)CC
InChIKey	NPHCXUPGMINOPP-UHFFFAOYSA-N
PubChem CID	9027
EC No.	205-787-6
DTXSID	DTXSID40861834
현지명	3,7-디메틸-1-옥탄올

XLogP	3.3
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	5
무거운 원자 수	11
형식 전하	0
복잡도	101
SpringerMaterials Properties	Density
향미제	EU Flavoring substances
녹는점	-67.5°C
끓는 점	98-99 °C9 mm Hg(lit.)
밀도	0.828 g/mL at 20 °C(lit.)
증기 밀도	5.4 (vs air)
증기압	<0.01 mm Hg ( 20 °C)
굴절률	n20/D 1.436(lit.)
인화점	203 °F
pKa(산도 계수)	15.34±0.29(Predicted)
색상	무색 투명한 액체.
냄새	100.00%에서. 신선한 리나룰 우디 블루베리 스위트 로즈
향취 유형	꽃향기
헨리 상수	4.0×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
화장품 원료 기능	향수
LogP(분배 계수)	3.485 (est)
EPA	3-Octanol, 3,6-dimethyl- (151-19-9)

GHS 분류	This chemical does not meet GHS hazard criteria for 8.7% (11 of 127) of reports.DangerH315 (91.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 127 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 3-Octanol, 3,6-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Octanol, 3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (91.3%)
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
RTECS 번호	RH0900000
독성	Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	23-26-36
기존화학 물질	KE-11634

Has apparently not been reported to occur in nature.

By ethynilation of methyl ethyl ketone followed by dehydration and then hydrogenation.